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 | |
|---|---|---|---|---|
| ▸ | GRIN2D | O15399 | 1/20 | 0.39 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.39 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.39 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.37 |
| ▸ | MEN1 | O00255 | 4/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.37 |
| ▸ | POLB | P06746 | 3/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.37 |
| ▸ | USP2 | O75604 | 2/20 | 0.37 |
| ▸ | CASP1 | P29466 | 2/20 | 0.37 |
| ▸ | CASP7 | P55210 | 2/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.35 |
| ▸ | PLG | P00747 | 2/20 | 0.34 |
| ▸ | KLK1 | P06870 | 2/20 | 0.34 |
| ▸ | KLK6 | Q92876 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
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 SCHEMBL11273703 | 0.93 | TAAR1 (0.36) | GRIN2DGRIN2AGRIN2BGRIN2CKDM4E | |
| Hydrochloric Acid SCHEMBL11281983 | 0.78 | ALDH1A1 (0.40) | KDM4EMEN1KMT2APOLBHSD17B10 | |
| Acetic Acid SCHEMBL11283797 | 0.75 | HMGB1 (0.45) | GRIN2DGRIN2AGRIN2BGRIN2CKDM4E | |
| Propionic Acid SCHEMBL11280047 | 0.75 | KDM4E (0.36) | GRIN2DGRIN2AGRIN2BGRIN2CKDM4E | |
| SCHEMBL19196145 | 0.74 | CA2 (0.50) | GRIN2DGRIN2AGRIN2BGRIN2CKDM4E | |
| Acetic Acid SCHEMBL11284977 | 0.74 | TAAR1 (0.41) | KDM4EMEN1KMT2APOLBHSD17B10 | |
| Hydrochloric Acid SCHEMBL11271226 | 0.72 | HSD17B10 (0.34) | GRIN2DGRIN2AGRIN2BGRIN2CKDM4E | |
| Propionic Acid SCHEMBL11268195 | 0.72 | MEN1 (0.33) | KDM4EMEN1KMT2APOLBHSD17B10 | |
| Hydrochloric Acid SCHEMBL11265869 | 0.71 | NQO2 (0.36) | MEN1KMT2ATAAR1CYP1A2MAPT | |
| Acetic Acid SCHEMBL11278411 | 0.70 | CYP2D6 (0.40) | GRIN2DGRIN2AGRIN2BGRIN2CTAAR1 |
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 |