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 | |
|---|---|---|---|---|
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.31 |
| ▸ | ESR2 known ✓ | Q92731 | 1/20 | 0.31 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.35 |
| ▸ | NEK1 | Q96PY6 | 4/20 | 0.33 |
| ▸ | PLG | P00747 | 5/20 | 0.32 |
| ▸ | KLK1 | P06870 | 5/20 | 0.32 |
| ▸ | KLK6 | Q92876 | 4/20 | 0.32 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.32 |
| ▸ | FYN | P06241 | 1/20 | 0.32 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.32 |
| ▸ | PIM1 | P11309 | 1/20 | 0.32 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.32 |
| ▸ | FLT1 | P17948 | 1/20 | 0.32 |
| ▸ | GRK5 | P34947 | 1/20 | 0.32 |
| ▸ | MAP2K2 | P36507 | 1/20 | 0.32 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.32 |
| ▸ | CDK8 | P49336 | 1/20 | 0.32 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.32 |
| ▸ | PRKX | P51817 | 1/20 | 0.32 |
| ▸ | JAK3 | P52333 | 1/20 | 0.32 |
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 SCHEMBL11267098 | 0.93 | TAAR1 (0.36) | TAAR1NEK1PLGKLK1KLK6 | |
| Acetic Acid SCHEMBL11284977 | 0.81 | TAAR1 (0.41) | TAAR1NEK1PLGKLK1KLK6 | |
| Acetic Acid SCHEMBL11270199 | 0.77 | LMNA (0.45) | TAAR1KDM4EMEN1MAPTKMT2A | |
| Hydrochloric Acid SCHEMBL11276045 | 0.74 | HTT (0.36) | KDM4EPOLBMAPTKMT2A | |
| Hydrochloric Acid SCHEMBL11280093 | 0.73 | TAAR1 (0.42) | TAAR1ESR1MEN1MAPTKMT2A | |
| Hydrochloric Acid SCHEMBL11283507 | 0.72 | TAAR1 (0.38) | TAAR1PLGKLK1KLK6CHEK1 | |
| Propionic Acid SCHEMBL11283161 | 0.71 | PLG (0.40) | PLGKLK1KLK6KDM4EPOLB | |
| 4-Methylbenzoic Acid SCHEMBL11272519 | 0.71 | ALDH1A1 (0.42) | MEN1POLBMAPTKMT2ALCK | |
| Acetic Acid SCHEMBL11281981 | 0.70 | GRIN2D (0.39) | TAAR1PLGKLK1KLK6FYN | |
| Hydrochloric Acid SCHEMBL11286748 | 0.70 | PLG (0.40) | TAAR1PLGKLK1KLK6KDM4E |
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 |