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 | |
|---|---|---|---|---|
| ▸ | MC4R known ✓ | P32245 | 1/20 | 0.53 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.53 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.79 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.57 |
| ▸ | MEN1 | O00255 | 2/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.57 |
| ▸ | TSHR | P16473 | 1/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.57 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.57 |
| ▸ | LMNA | P02545 | 3/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | CXCR4 | P61073 | 3/20 | 0.55 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.53 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.53 |
| ▸ | CCR2 | P41597 | 1/20 | 0.53 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.53 |
| ▸ | BLM | P54132 | 1/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL21981463 | 0.93 | SIGMAR1 (0.85) | SIGMAR1KMT2AALDH1A1MEN1CYP2C9 | |
| Urea SCHEMBL6942597 | 0.90 | SIGMAR1 (0.79) | SIGMAR1KMT2AALDH1A1MEN1CYP2C9 | |
| SCHEMBL152631 | 0.89 | SIGMAR1 (1.00) | SIGMAR1KMT2AALDH1A1MEN1CYP2C9 | |
| Benzene SCHEMBL27761330 | 0.89 | SIGMAR1 (1.00) | SIGMAR1KMT2AALDH1A1MEN1CYP2C9 | |
| SCHEMBL6138636 | 0.89 | SIGMAR1 (1.00) | SIGMAR1KMT2AALDH1A1MEN1CYP2C9 | |
| SCHEMBL276363 | 0.89 | SIGMAR1 (1.00) | SIGMAR1KMT2AALDH1A1MEN1CYP2C9 | |
| SCHEMBL83548 | 0.89 | SIGMAR1 (1.00) | SIGMAR1KMT2AALDH1A1MEN1CYP2C9 | |
| Benzene SCHEMBL27643665 | 0.88 | SIGMAR1 (0.82) | SIGMAR1KMT2AALDH1A1MEN1CYP2C9 | |
| Lactic Acid SCHEMBL27653943 | 0.87 | SIGMAR1 (0.70) | SIGMAR1KMT2AALDH1A1MEN1CYP2C9 | |
| SCHEMBL8145866 | 0.87 | SIGMAR1 (0.96) | SIGMAR1KMT2AALDH1A1MEN1CYP2C9 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101941953-A | Nitrogenous heterocyclic substituted hydrazide compounds as well as preparation methods and applications thereof | SHENZHEN XIANGYA BIOPHARMACEUTICAL INST | 2011-01-12 | — | — | CN | disclosed |
| US-6476226-B2 | PLATELET GLYCOPROTEIN IIB/IIIA FIBRINOGEN; ANTICOAGULANTS; THROMBOLYTIC AGENTS; THROMBOEMBOLIC DISORDERS; ANTIINFLAMMATORY AGENTS; BONE DISORDERS; ANTITUMOR, -METASTASIS, -ARTHRITIC AGENTS; ASTHMA; PSORIASIS | BRISTOL-MYERS SQUIBB PHARMA COMPANY | 2002-11-05 | — | — | US | disclosed |
| US-20020094978-A1 | Novel isoxazoline fibrinogen receptor antagonists | BRISTOL-MYERS SQUIBB PHARMA COMPANY | 2002-07-18 | — | — | US | disclosed |
| US-6303609-B1 | USED FOR THE INHIBITION OF PLATELET AGGREGATION, AS THROMBOLYTICS, AND/OR FOR THE TREATMENT OF THROMBOEMBOLIC DISORDERS | DUPONT PHARMACEUTICALS COMPANY | 2001-10-16 | — | — | US | disclosed |
| EP-1131306-A2 | ISOXAZOLINE FIBRINOGEN RECEPTOR ANTAGONISTS | Du Pont Pharmaceuticals Company (US) | 2001-09-12 | — | — | EP | disclosed |
| WO-2000029406-A2 | NOVEL ISOXAZOLINE FIBRINOGEN RECEPTOR ANTAGONISTS | DU PONT PHARMACEUTICALS COMPANY (US) | 2000-05-25 | — | — | WO | 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 (1 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-20020094978-A1 | Novel isoxazoline fibrinogen receptor antagonists | F13B, F11, FGB | MC4R 1699/4885ADRA2C 241/4885SIGMAR1 678/4885 |
“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.