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 | 19/20 | 0.53 |
| ▸ | TACR1 | P25103 | 6/20 | 0.53 |
| ▸ | TACR3 | P29371 | 4/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5013622 | 0.98 | TACR2 (0.55) | TACR2TACR1TACR3 | |
| Acetic Acid SCHEMBL4262955 | 0.95 | TACR2 (0.52) | TACR2TACR1TACR3 | |
| SCHEMBL5011837 | 0.93 | TACR2 (0.53) | TACR2TACR1TACR3 | |
| SCHEMBL4259543 | 0.90 | TACR2 (0.66) | TACR2TACR1TACR3 | |
| Acetic Acid SCHEMBL4264248 | 0.90 | TACR2 (0.54) | TACR2TACR1TACR3 | |
| SCHEMBL5013875 | 0.88 | TACR2 (0.56) | TACR2TACR1TACR3 | |
| SCHEMBL4266545 | 0.83 | TACR2 (0.54) | TACR2TACR1TACR3 | |
| SCHEMBL4256233 | 0.83 | TACR2 (0.54) | TACR2TACR1TACR3 | |
| SCHEMBL5798690 | 0.83 | TACR2 (0.54) | TACR2TACR1TACR3 | |
| Acetic Acid SCHEMBL4258039 | 0.82 | TACR2 (0.65) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1636221-B1 | 3-Heterocyclyl-Azetidine compounds useful as NK1/NK2 receptors antagonists | ALBIREO AB (SE) | 2009-08-12 | — | — | EP | disclosed |
| US-7402581-B2 | Azetidine compounds | ALBIREO AB (SE) | 2008-07-22 | — | — | US | disclosed |