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 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR2 | P21452 | 17/20 | 0.57 |
| ▸ | TACR1 | P25103 | 7/20 | 0.57 |
| ▸ | TACR3 | P29371 | 5/20 | 0.57 |
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 SCHEMBL7692910 | 1.00 | TACR2 (0.57) | TACR2TACR1TACR3 | |
| SCHEMBL4256214 | 0.97 | TACR2 (0.59) | TACR2TACR1TACR3 | |
| SCHEMBL6002109 | 0.97 | TACR2 (0.59) | TACR2TACR1TACR3 | |
| SCHEMBL7673234 | 0.88 | TACR2 (0.49) | TACR2TACR1TACR3 | |
| SCHEMBL4257657 | 0.87 | TACR2 (0.48) | TACR2TACR1TACR3 | |
| SCHEMBL756430 | 0.86 | TACR2 (0.64) | TACR2TACR1TACR3 | |
| SCHEMBL6668994 | 0.86 | TACR2 (0.64) | TACR2TACR1TACR3 | |
| SCHEMBL4021422 | 0.85 | TACR2 (0.46) | TACR2TACR1TACR3 | |
| SCHEMBL4021426 | 0.85 | TACR2 (0.46) | TACR2TACR1TACR3 | |
| SCHEMBL7669440 | 0.85 | TACR2 (0.47) | TACR2TACR1TACR3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6365602-B1 | FOR THERAPY OF DEPRESSION, ANXIETY, ASTHMA, PAIN, INFLAMMATION, URINARY INCONTINENCE AND OTHER DISEASE CONDITIONS | ASTRA ZENECA AB (SE) | 2002-04-02 | — | — | US | disclosed |
| EP-1097137-A1 | N-SUBSTITUTED NAPHTHALENE CARBOXAMIDES AS NEUROKININ-RECEPTOR ANTAGONISTS | AstraZeneca AB (SE) | 2001-05-09 | — | — | EP | disclosed |
| WO-2000002859-A1 | N-SUBSTITUTED NAPHTHALENE CARBOXAMIDES AS NEUROKININ-RECEPTOR ANTAGONISTS | ASTRAZENECA AB (SE) | 2000-01-20 | — | — | WO | disclosed |