Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Acetic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2B known ✓ | P18089 | 3/20 | 0.42 |
| ▸ | OPRK1 known ✓ | P41145 | 3/20 | 0.42 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.37 |
| ▸ | MC4R known ✓ | P32245 | 1/20 | 0.37 |
| ▸ | SCN5A known ✓ | Q14524 | 1/20 | 0.37 |
| ▸ | GHSR known ✓ | Q92847 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 11/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 9/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 6/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.42 |
| ▸ | HTR2A | P28223 | 3/20 | 0.42 |
| ▸ | HTR2C | P28335 | 3/20 | 0.42 |
| ▸ | HRH1 | P35367 | 3/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.42 |
| ▸ | DRD3 | P35462 | 3/20 | 0.42 |
| ▸ | HTR2B | P41595 | 3/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.42 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.42 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL5141502 | 0.93 | CACNA2D1 (0.45) | SLC6A4SLC6A2SLC6A3CYP1A2CYP3A4 | |
| SCHEMBL3811 | 0.77 | ALOX5 (0.34) | — | |
| Oxalic Acid SCHEMBL9597 | 0.70 | SLC6A4 (0.50) | SLC6A4SLC6A2SLC6A3CYP1A2CYP3A4 | |
| Atomoxetine SCHEMBL5011175 | 0.69 | SLC6A4 (0.86) | SLC6A4SLC6A2SLC6A3CYP1A2CYP3A4 | |
| SCHEMBL5137188 | 0.66 | SLC6A4 (0.55) | SLC6A4SLC6A2SLC6A3CYP1A2CYP3A4 | |
| Duloxetine SCHEMBL2120068 | 0.64 | SLC6A2 (0.87) | SLC6A4SLC6A2SLC6A3CYP1A2CYP3A4 | |
| SCHEMBL15061181 | 0.64 | ADRA1D (0.32) | SLC6A4CYP1A2CYP3A4CYP2D6HTR2A | |
| Atomoxetine SCHEMBL4082557 | 0.63 | SLC6A4 (0.86) | SLC6A4SLC6A2SLC6A3CYP1A2CYP3A4 | |
| Atomoxetine SCHEMBL4730875 | 0.63 | SLC6A4 (0.86) | SLC6A4SLC6A2SLC6A3CYP1A2CYP3A4 | |
| SCHEMBL19668666 | 0.63 | F9 (0.50) | CYP1A2CYP3A4CYP2D6KMT2ATP53 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 20 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9931346-B2 | Serotonin-norepinephrine reuptake inhibitors (SNRIs) and Sigma receptor ligands combinations | LABORATORIOS DEL DR. ESTEVE S.A. (ES) | 2018-04-03 | — | — | US | disclosed |
| US-20160310500-A1 | SEROTONIN-NOREPINEPHRINE REUPTAKE INHIBITORS (SNRIS) AND SIGMA RECEPTOR LIGANDS COMBINATIONS | LABORATORIOS DEL DR. ESTEVE S.A. (ES) | 2016-10-27 | — | — | US | disclosed |
| EP-3082782-A1 | SEROTONIN-NOREPINEPHRINE REUPTAKE INHIBITORS (SNRIs) AND SIGMA RECEPTOR LIGANDS COMBINATIONS | Laboratorios Del. Dr. Esteve, S.A. (ES) | 2016-10-26 | — | — | EP | disclosed |
| WO-2015091508-A1 | SEROTONIN-NOREPINEPHRINE REUPTAKE INHIBITORS (SNRIs) AND SIGMA RECEPTOR LIGANDS COMBINATIONS | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2015-06-25 | — | — | WO | disclosed |
| US-20070299043-A1 | Anti-scarring drug combinations and use thereof | HUNTER WILLIAM L | 2007-12-27 | — | — | US | disclosed |
| US-20070208134-A1 | Anti-scarring drug combinations and use thereof | HUNTER WILLIAM L | 2007-09-06 | — | — | US | disclosed |
| US-20070196421-A1 | Soft tissue implants and drug combination compositions, and use thereof | ANGIOTECH INTERNATIONAL AG (CH) | 2007-08-23 | — | — | US | disclosed |
| US-20070198063-A1 | Electrical devices and anti-scarring drug combinations | HUNTER WILLIAM L | 2007-08-23 | — | — | US | disclosed |
| US-20070197957-A1 | Implantable sensors, implantable pumps and anti-scarring drug combinations | HUNTER WILLIAM L | 2007-08-23 | — | — | US | disclosed |
| WO-2007041593-A2 | ANTI-SCARRING DRUG COMBINATIONS AND USE THEREOF | COMBINATORX, INCORPORATED (US) | 2007-04-12 | — | — | WO | disclosed |
| WO-2007041584-A2 | IMPLANTABLE SENSORS, IMPLANTABLE PUMPS, AND ANTI-SCARRING DRUG COMBINATIONS | COMBINATORX, INCORPORATED (US) | 2007-04-12 | — | — | WO | disclosed |
| WO-2007041463-A2 | ELECTRICAL DEVICES AND ANTI-SCARRING DRUG COMBINATIONS | COMBINATORX, INCORPORATED (US) | 2007-04-12 | — | — | WO | disclosed |
| WO-2005079284-A2 | METHODS AND REAGENTS FOR THE TREATMENT OF DISEASES AND DISORDERS ASSOCIATED WITH INCREASED LEVELS OF PROINFLAMMATORY CYTOKINES | COMBINATORX, INCORPORATED (US) | 2005-09-01 | — | — | WO | disclosed |
| EP-0654264-B1 | Use of venlafaxine or of an aryloxy propanamine compound for the manufacture of a medicament for the treatment of urinary incontinence | LILLY CO ELI (US) | 2001-05-30 | — | — | EP | disclosed |
| US-5744474-A | ADMINISTERING VENLAFAXINE OR DULOXETINE; TREATING STRESS, URGE AND/OR NOCTURNAL URINARY INCONTINENCE | ELI LILLY AND COMPANY (US) | 1998-04-28 | — | — | US | disclosed |
| EP-0654264-A1 | Treatment of incontinence with venlafaxine or an aryloxy propanamine compound | ELI LILLY AND COMPANY (US) | 1995-05-24 | — | — | EP | disclosed |
| US-5023269-A | 3-aryloxy-3-substituted propanamines | ELI LILLY AND COMPANY (US) | 1991-06-11 | — | — | US | disclosed |
| EP-0273658-B1 | 3-ARYLOXY-3-SUBSTITUTED PROPANAMINES | ELI LILLY AND COMPANY (US) | 1990-10-31 | — | — | EP | disclosed |
| US-4956388-A | ANTIDEPRESSANTS, ANTIANXIETY, TREATMENT OF OBESITY, ADDICTION TO SMOKING AND ALCOHOL | ELI LILLY AND COMPANY (US) | 1990-09-11 | — | — | US | disclosed |
| EP-0273658-A1 | 3-Aryloxy-3-substituted propanamines | ELI LILLY AND COMPANY (US) | 1988-07-06 | — | — | EP | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20160310500-A1 | SEROTONIN-NOREPINEPHRINE REUPTAKE INHIBITORS (SNRIS) AND SIGMA RECEPTOR LIGANDS COMBINATIONS | SIGMAR1, OPRL1, SLC6A2 | ADRA2B 12/4885OPRK1 4/4885ADRA2C 7/4885 |
| US-20070208134-A1 | Anti-scarring drug combinations and use thereof | MMP1, COL2A1, COL1A1 | ADRA2B 1302/4885OPRK1 1735/4885ADRA2C 1759/4885 |
| US-20070196421-A1 | Soft tissue implants and drug combination compositions, and use thereof | COL2A1, MMP1, FN1 | ADRA2B 1680/4885OPRK1 1583/4885ADRA2C 2775/4885 |
| US-20070299043-A1 | Anti-scarring drug combinations and use thereof | MMP1, COL2A1, COL1A1 | ADRA2B 1302/4885OPRK1 1735/4885ADRA2C 1759/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.