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 | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 2/20 | 0.82 |
| ▸ | MEN1 | O00255 | 3/20 | 0.72 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.72 |
| ▸ | CASP3 | P42574 | 1/20 | 0.72 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.72 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.72 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.72 |
| ▸ | NPC1 | O15118 | 3/20 | 0.71 |
| ▸ | RAB9A | P51151 | 3/20 | 0.71 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.64 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.64 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.64 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.64 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.64 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.64 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.64 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.64 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.64 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.64 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.64 |
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 | |
|---|---|---|---|---|
| SCHEMBL935182 | 0.91 | CYP19A1 (1.00) | CYP19A1MEN1KMT2ACASP3SENP8 | |
| SCHEMBL15836586 | 0.87 | CYP19A1 (0.93) | CYP19A1MEN1KMT2ACASP3SENP8 | |
| SCHEMBL24687238 | 0.84 | MEN1 (1.00) | CYP19A1MEN1KMT2ACASP3SENP8 | |
| SCHEMBL12535881 | 0.83 | NPC1 (0.88) | CYP19A1MEN1KMT2ACASP3SENP8 | |
| SCHEMBL28068165 | 0.83 | NPC1 (1.00) | CYP19A1MEN1KMT2ACASP3SENP8 | |
| SCHEMBL19708171 | 0.83 | MEN1 (0.78) | CYP19A1MEN1KMT2ACASP3SENP8 | |
| SCHEMBL12022166 | 0.83 | CYP19A1 (0.84) | CYP19A1MEN1KMT2ACASP3SENP8 | |
| SCHEMBL28602925 | 0.83 | CD74 (0.71) | CYP19A1MEN1KMT2ACASP3SENP8 | |
| SCHEMBL3439430 | 0.83 | MEN1 (0.73) | CYP19A1MEN1KMT2ACASP3SENP8 | |
| SCHEMBL28529410 | 0.82 | CYP19A1 (0.77) | CYP19A1MEN1KMT2ACASP3SENP8 |
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 |