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 | |
|---|---|---|---|---|
| ▸ | OPRK1 known ✓ | P41145 | 1/20 | 0.41 |
| ▸ | ADRB2 known ✓ | P07550 | 1/20 | 0.37 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.42 |
| ▸ | DRD2 | P14416 | 7/20 | 0.41 |
| ▸ | DRD3 | P35462 | 7/20 | 0.41 |
| ▸ | DRD4 | P21917 | 5/20 | 0.41 |
| ▸ | CA1 | P00915 | 4/20 | 0.41 |
| ▸ | CA2 | P00918 | 4/20 | 0.41 |
| ▸ | ACHE | P22303 | 4/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CASP1 | P29466 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9688904 | 0.77 | HSD17B1 (0.46) | HSD17B1DRD2DRD3DRD4CA1 | |
| SCHEMBL9370418 | 0.74 | DRD2 (0.46) | HSD17B1DRD2DRD3DRD4CA1 | |
| SCHEMBL11345481 | 0.73 | CA2 (0.47) | CA2ACHEMEN1KMT2AOPRM1 | |
| SCHEMBL9505624 | 0.72 | CA1 (0.63) | HSD17B1DRD2DRD3DRD4CA1 | |
| SCHEMBL16660450 | 0.72 | DRD2 (0.42) | HSD17B1DRD2DRD3DRD4CA1 | |
| Acetic Acid SCHEMBL19834750 | 0.72 | HSD17B1 (0.58) | HSD17B1DRD2DRD3DRD4 | |
| SCHEMBL18350079 | 0.71 | DRD2 (0.50) | DRD2DRD3DRD4CA1CA2 | |
| SCHEMBL13799411 | 0.71 | DRD2 (0.50) | DRD2DRD3DRD4OPRK1CYP19A1 | |
| Acetic Acid SCHEMBL11342776 | 0.71 | HSD17B1 (0.47) | HSD17B1DRD2DRD3DRD4CA1 | |
| SCHEMBL4782371 | 0.70 | CA1 (0.52) | DRD2DRD3DRD4CA1CA2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4267373-A | HYDROXY- OR -OXY-SUBSTITUTED-6-ALKYL- OR DIALKYLAMINO-7-HYDROXY DERIVATIVES | E. R. SQUIBB & SONS, INC. (US) | 1981-05-12 | — | — | US | disclosed |
| US-4081444-A | Phenylpiperazinotetrahydronaphthols and derivatives | E. R. SQUIBB & SONS, INC. (US) | 1978-03-28 | — | — | US | disclosed |
| US-4076843-A | 5,6,7,8-Tetrahydronaphthalene hypotensive agents | E. R. SQUIBB & SONS, INC. (US) | 1978-02-28 | — | — | US | disclosed |
| US-4018773-A | Phenylpiperazinotetrahydronaphthols and derivatives | E. R. SQUIBB & SONS, INC. (US) | 1977-04-19 | — | — | US | disclosed |