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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 9/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 9/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 9/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 9/20 | 0.41 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.38 |
| ▸ | ROCK2 | O75116 | 6/20 | 0.37 |
| ▸ | ROCK1 | Q13464 | 4/20 | 0.37 |
| ▸ | PAK4 | O96013 | 1/20 | 0.37 |
| ▸ | PIM1 | P11309 | 1/20 | 0.37 |
| ▸ | GSK3B | P49841 | 1/20 | 0.37 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.37 |
| ▸ | PKN1 | Q16512 | 1/20 | 0.37 |
| ▸ | PKN2 | Q16513 | 1/20 | 0.37 |
| ▸ | CPT2 | P23786 | 1/20 | 0.36 |
| ▸ | CPT1A | P50416 | 1/20 | 0.36 |
| ▸ | KIF11 | P52732 | 1/20 | 0.35 |
| ▸ | GPER1 | Q99527 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL3699204 | 1.00 | CYP2D6 (0.41) | CYP2D6SLC6A2SLC6A4SLC6A3GRIN2B | |
| Acetic Acid SCHEMBL3699206 | 1.00 | CYP2D6 (0.41) | CYP2D6SLC6A2SLC6A4SLC6A3GRIN2B | |
| SCHEMBL6730536 | 0.94 | CYP2D6 (0.43) | CYP2D6SLC6A2SLC6A4SLC6A3GRIN2B | |
| SCHEMBL13604924 | 0.94 | CYP2D6 (0.43) | CYP2D6SLC6A2SLC6A4SLC6A3GRIN2B | |
| SCHEMBL3697234 | 0.94 | CYP2D6 (0.43) | CYP2D6SLC6A2SLC6A4SLC6A3GRIN2B | |
| Acetic Acid SCHEMBL3699950 | 0.90 | MAPK1 (0.44) | GRIN2BROCK2ROCK1PAK4PIM1 | |
| Acetic Acid SCHEMBL3702302 | 0.90 | MAPK1 (0.44) | GRIN2BROCK2ROCK1PAK4PIM1 | |
| Acetic Acid SCHEMBL3702301 | 0.90 | MAPK1 (0.44) | GRIN2BROCK2ROCK1PAK4PIM1 | |
| SCHEMBL4481698 | 0.85 | MAPK1 (0.46) | GRIN2BROCK2ROCK1PAK4PIM1 | |
| SCHEMBL4481696 | 0.85 | MAPK1 (0.46) | GRIN2BROCK2ROCK1PAK4PIM1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1851199-B1 | SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUNDS AS SELECTIVE 5HT2A ANTAGONISTS | AVENTIS PHARMA INC (US) | 2012-05-16 | — | — | EP | claimed |
| US-20070265309-A1 | SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUNDS AS SELECTIVE 5HT2A ANTAGONISTS | AVENTIS PHARMACEUTICALS INC. (US) | 2007-11-15 | — | — | US | claimed |
| EP-1851199-B1 | SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUNDS AS SELECTIVE 5HT2A ANTAGONISTS | AVENTIS PHARMA INC (US) | 2012-05-16 | — | — | EP | disclosed |
| US-7625889-B2 | Substituted bis aryl and heteroaryl compounds as selective 5HT2A antagonists | AVENTIS PHARMACEUTICALS INC. (US) | 2009-12-01 | — | — | US | disclosed |
| US-7618650-B2 | Combination of a hypnotic agent and substituted bis aryl and heteroaryl compound and therapeutic application thereof | AVENTIS PHARMACEUTICALS INC (US) | 2009-11-17 | — | — | US | disclosed |
| EP-1928442-B1 | COMBINATION OF A HYPNOTIC AGENT AND SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUND AND THERAPEUTIC APPLICATION THEREOF | AVENTIS PHARMA INC (US) | 2009-11-04 | — | — | EP | disclosed |
| US-20080138413-A1 | COMBINATION OF A HYPNOTIC AGENT AND SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUND AND THERAPEUTIC APPLICATION THEREOF | AVENTIS PHARMACEUTICALS INC. (US) | 2008-06-12 | — | — | US | disclosed |
| US-20070265309-A1 | SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUNDS AS SELECTIVE 5HT2A ANTAGONISTS | AVENTIS PHARMACEUTICALS INC. (US) | 2007-11-15 | — | — | US | 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 (2 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-20080138413-A1 | COMBINATION OF A HYPNOTIC AGENT AND SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUND AND THERAPEUTIC APPLICATION THEREOF | HCRTR1, HCRTR2, MTNR1B | CYP2D6 144/4885SLC6A2 405/4885SLC6A4 496/4885 |
| US-20070265309-A1 | SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUNDS AS SELECTIVE 5HT2A ANTAGONISTS | HTR2A, HTR2B, HTR2C | CYP2D6 118/4885SLC6A2 67/4885SLC6A4 50/4885 |
“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.