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 | 0.65 |
| ▸ | TACR1 | P25103 | 4/20 | 0.65 |
| ▸ | TACR3 | P29371 | 4/20 | 0.65 |
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 SCHEMBL4262288 | 1.00 | TACR2 (0.65) | TACR2TACR1TACR3 | |
| SCHEMBL5015249 | 0.98 | TACR2 (0.67) | TACR2TACR1TACR3 | |
| SCHEMBL5801564 | 0.98 | TACR2 (0.67) | TACR2TACR1TACR3 | |
| Acetic Acid SCHEMBL4264248 | 0.92 | TACR2 (0.54) | TACR2TACR1TACR3 | |
| Acetic Acid SCHEMBL4258039 | 0.92 | TACR2 (0.65) | TACR2TACR1TACR3 | |
| Acetic Acid SCHEMBL4256160 | 0.92 | TACR2 (0.69) | TACR2TACR1TACR3 | |
| Acetic Acid SCHEMBL4261780 | 0.91 | TACR2 (0.64) | TACR2TACR1TACR3 | |
| Acetic Acid SCHEMBL5013681 | 0.91 | TACR2 (0.68) | TACR2TACR1TACR3 | |
| Acetic Acid SCHEMBL4261786 | 0.91 | TACR2 (0.64) | TACR2TACR1TACR3 | |
| SCHEMBL5802711 | 0.91 | TACR2 (0.69) | 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-A2 | NEW AZETIDINE COMPOUNDS | AstraZeneca AB (SE) | 2006-03-22 | — | — | EP | disclosed |
| WO-2004110344-A2 | NEW AZETIDINE COMPOUNDS | ASTRAZENECA AB (SE) | 2004-12-23 | — | — | WO | disclosed |