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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 3/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | EGFR | P00533 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 2/20 | 0.45 |
| ▸ | CA2 | P00918 | 2/20 | 0.45 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.45 |
| ▸ | ERCC1 | P07992 | 3/20 | 0.44 |
| ▸ | ERCC4 | Q92889 | 3/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | MC5R | P33032 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11270003 | 0.92 | PKM (0.54) | HDAC1PKMSMN1; SMN2MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL11270541 | 0.82 | MEN1 (0.49) | HDAC1SMN1; SMN2MEN1KMT2AHDAC8 | |
| Hydrochloric Acid SCHEMBL11270300 | 0.81 | GAA (0.59) | MEN1KMT2ACA1CA2CA12 | |
| Propionic Acid SCHEMBL11282613 | 0.79 | SMN1; SMN2 (0.39) | HDAC1SMN1; SMN2MEN1KMT2AHDAC8 | |
| Hydrochloric Acid SCHEMBL31120720 | 0.79 | MC5R (0.62) | SMN1; SMN2MEN1KMT2ACA1CA2 | |
| Hydrochloric Acid SCHEMBL31120721 | 0.79 | MC5R (0.62) | SMN1; SMN2MEN1KMT2ACA1CA2 | |
| Acetic Acid SCHEMBL10842577 | 0.79 | HDAC8 (0.60) | HDAC1PKMSMN1; SMN2MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL11276012 | 0.78 | RAD52 (0.42) | PKMSMN1; SMN2CA1CA2CA12 | |
| SCHEMBL4672887 | 0.78 | BCHE (0.51) | HDAC1PKMMAPK1MC5R | |
| SCHEMBL4017226 | 0.77 | MC5R (0.65) | SMN1; SMN2MEN1KMT2ACA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| US-4327022-A | Heterocyclic alkyl naphthols | STERLING DRUG INC. (US) | 1982-04-27 | — | — | US | disclosed |
| US-4169108-A | 5(OR 6)-[(Substituted-amino)alkyl]-2,3-naphthalenediols | STERLING DRUG INC. (US) | 1979-09-25 | — | — | US | disclosed |