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 | |
|---|---|---|---|---|
| ▸ | ADRA2A known ✓ | P08913 | 3/20 | 0.48 |
| ▸ | ADRB2 known ✓ | P07550 | 1/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 5/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.48 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | BACE1 | P56817 | 2/20 | 0.48 |
| ▸ | HTR1A | P08908 | 2/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | HTR3A | P46098 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | DRD2 | P14416 | 3/20 | 0.47 |
| ▸ | DRD1 | P21728 | 3/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | BLM | P54132 | 2/20 | 0.47 |
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| Bromide SCHEMBL11266880 | 0.90 | TAAR1 (0.59) | TAAR1KDM4ESLC6A2ADRA2AALDH1A1 | |
| SCHEMBL11272983 | 0.88 | TAAR1 (0.61) | TAAR1KDM4ESLC6A2ADRA2AALDH1A1 | |
| Bromide SCHEMBL11273969 | 0.84 | TAAR1 (0.57) | TAAR1KDM4ESLC6A2ADRA2AALDH1A1 | |
| Acetic Acid SCHEMBL11267770 | 0.84 | LMNA (0.56) | TAAR1KDM4ESLC6A2ADRA2AALDH1A1 | |
| SCHEMBL11283434 | 0.83 | TAAR1 (0.59) | TAAR1KDM4ESLC6A2ADRA2AALDH1A1 | |
| Tyramine SCHEMBL9616224 | 0.81 | TAAR1 (0.75) | TAAR1KDM4ESLC6A2ADRA2AALDH1A1 | |
| Acetic Acid SCHEMBL11284505 | 0.79 | LMNA (0.46) | TAAR1KDM4ESLC6A2ADRA2AALDH1A1 | |
| Acetic Acid SCHEMBL11271651 | 0.78 | TAAR1 (0.57) | TAAR1KDM4ESLC6A2TDP1RECQL | |
| SCHEMBL21556072 | 0.78 | CYP1A2 (0.66) | KDM4ESLC6A2ALDH1A1KMT2AHCAR2 | |
| Acetic Acid SCHEMBL11276128 | 0.77 | LMNA (0.51) | TAAR1KDM4ESLC6A2ADRA2AALDH1A1 |
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 |