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 | 2/20 | 0.45 |
| ▸ | ADRB2 known ✓ | P07550 | 1/20 | 0.42 |
| ▸ | NOS3 known ✓ | P29474 | 1/20 | 0.39 |
| ▸ | NOS1 known ✓ | P29475 | 1/20 | 0.39 |
| ▸ | NOS2 known ✓ | P35228 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | DRD2 | P14416 | 2/20 | 0.45 |
| ▸ | DRD1 | P21728 | 2/20 | 0.45 |
| ▸ | DRD4 | P21917 | 2/20 | 0.45 |
| ▸ | DRD5 | P21918 | 2/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.45 |
| ▸ | DRD3 | P35462 | 2/20 | 0.45 |
| ▸ | RECQL | P46063 | 2/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.45 |
| ▸ | BLM | P54132 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11284749 | 0.93 | LMNA (0.51) | LMNAMAPK1TDP1KDM4EADRA2A | |
| Acetic Acid SCHEMBL11276128 | 0.83 | LMNA (0.51) | LMNAMAPK1TDP1KDM4EADRA2A | |
| Propionic Acid SCHEMBL11283161 | 0.82 | PLG (0.40) | LMNAMAPK1TDP1KDM4EADRA2A | |
| Hydrochloric Acid SCHEMBL11286748 | 0.82 | PLG (0.40) | LMNAMAPK1TDP1KDM4EADRA2A | |
| Acetic Acid SCHEMBL11284505 | 0.82 | LMNA (0.46) | LMNAMAPK1TDP1KDM4EADRA2A | |
| Acetic Acid SCHEMBL11267770 | 0.81 | LMNA (0.56) | LMNAMAPK1TDP1KDM4EADRA2A | |
| Hydrochloric Acid SCHEMBL11277469 | 0.75 | KDM4E (0.39) | LMNAMAPK1KDM4EADRA2AMAPT | |
| Hydrochloric Acid SCHEMBL11281132 | 0.74 | HRH3 (0.43) | SLC6A3HTR1A | |
| Hydrochloric Acid SCHEMBL11267173 | 0.74 | HRH3 (0.51) | TDP1SLC6A3 | |
| Hydrochloric Acid SCHEMBL11270201 | 0.74 | LMNA (0.43) | LMNAMAPK1TDP1KDM4EADRA2A |
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 |