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 | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 6/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.41 |
| ▸ | TNKS | O95271 | 1/20 | 0.41 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.41 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | IKBKB | O14920 | 1/20 | 0.41 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | GLA | P06280 | 2/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.40 |
| ▸ | ATM | Q13315 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3878176 | 0.89 | ALDH1A1 (0.53) | MAPTALDH1A1HPGDRAB9ASMN1; SMN2 | |
| SCHEMBL28737708 | 0.81 | ALDH1A1 (0.53) | MAPTALDH1A1HPGDRAB9ASMN1; SMN2 | |
| SCHEMBL3879000 | 0.79 | MAPT (0.50) | MAPTALDH1A1HPGDRAB9ASMN1; SMN2 | |
| Dibenzothiophene SCHEMBL11884108 | 0.76 | GPR3 (0.67) | MAPTALDH1A1HPGDRAB9ASMN1; SMN2 | |
| SCHEMBL11710787 | 0.76 | MAPT (0.50) | MAPTALDH1A1HPGDRAB9ASMN1; SMN2 | |
| SCHEMBL3874863 | 0.76 | MAPT (0.54) | MAPTALDH1A1HPGDRAB9ASMN1; SMN2 | |
| SCHEMBL21042192 | 0.74 | TNKS (0.49) | MAPTALDH1A1HPGDRAB9ASMN1; SMN2 | |
| SCHEMBL22137025 | 0.73 | TNKS (0.48) | MAPTALDH1A1HPGDRAB9ASMN1; SMN2 | |
| SCHEMBL17987490 | 0.72 | MAPT (0.46) | MAPTALDH1A1HPGDRAB9ASMN1; SMN2 | |
| SCHEMBL11768724 | 0.72 | ALDH1A1 (0.50) | MAPTALDH1A1HPGDRAB9ASMN1; SMN2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0068563-A2 | Heterocyclic acetic acid compounds and compositions for treating bone diseases | THE PROCTER & GAMBLE COMPANY (US) | 1983-01-05 | — | — | EP | disclosed |