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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 8/20 | 0.86 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | MAOA | P21397 | 1/20 | 0.53 |
| ▸ | MAOB | P27338 | 1/20 | 0.53 |
| ▸ | NPC1 | O15118 | 1/20 | 0.52 |
| ▸ | RAB9A | P51151 | 1/20 | 0.52 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.52 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL2641384 | 0.93 | CYP19A1 (1.00) | CYP19A1HDAC1MAOAMAOBNPC1 | |
| Acetic Acid SCHEMBL28329957 | 0.85 | NOTUM (0.63) | CYP19A1HDAC1ALDH1A1LMNANPC1 | |
| SCHEMBL11985532 | 0.82 | CYP19A1 (0.61) | CYP19A1HDAC1ALDH1A1LMNANPC1 | |
| SCHEMBL28533317 | 0.82 | CYP19A1 (0.97) | CYP19A1HDAC1MAOAMAOBNPC1 | |
| SCHEMBL1311300 | 0.82 | HDAC1 (0.66) | CYP19A1HDAC1MAOAMAOBNPC1 | |
| SCHEMBL2193998 | 0.81 | CYP19A1 (1.00) | CYP19A1HDAC1MAOAMAOBNPC1 | |
| SCHEMBL10044916 | 0.81 | CYP19A1 (1.00) | CYP19A1HDAC1MAOAMAOBNPC1 | |
| SCHEMBL5052830 | 0.80 | HDAC1 (0.70) | CYP19A1HDAC1HRH4HSP90AB1 | |
| SCHEMBL15014123 | 0.80 | CYP19A1 (0.76) | CYP19A1ALDH1A1LMNAMAOAMAOB | |
| SCHEMBL16206208 | 0.80 | CYP19A1 (0.82) | CYP19A1HDAC1MAOAMAOBNPC1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110498772-A | A kind of Terminal Acetylenes multicomponent synthesis 1,4- replaces the method for 1,2,3- triazole | UNIV LESHAN NORMAL | 2019-11-26 | — | — | CN | disclosed |