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 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA4 | P22748 | 1/20 | 0.36 |
| ▸ | CES2 | O00748 | 3/20 | 0.35 |
| ▸ | CES1 | P23141 | 3/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | ELANE | P08246 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | F2 | P00734 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.32 |
| ▸ | DAO | P14920 | 1/20 | 0.31 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL27970673 | 0.87 | KMT2A (0.33) | CES2CES1TSHRKMT2AMEN1 | |
| SCHEMBL28061261 | 0.87 | KMT2A (0.33) | CES2CES1TSHRKMT2AMEN1 | |
| Terephthalic Acid SCHEMBL28056588 | 0.86 | CA2 (0.47) | CA2CA4CES2CES1KMT2A | |
| Terephthalic Acid SCHEMBL28007787 | 0.86 | CA2 (0.47) | CA2CA4CES2CES1KMT2A | |
| SCHEMBL28016232 | 0.85 | MEN1 (0.32) | CES2CES1TSHRKMT2AMEN1 | |
| Acetophenone SCHEMBL16114519 | 0.83 | SMN1; SMN2 (0.46) | CES2CES1TSHRKMT2AMEN1 | |
| Bromide SCHEMBL28825975 | 0.83 | SNCA (0.33) | KMT2AMEN1F2LMNACYP19A1 | |
| Acetic Acid SCHEMBL28691473 | 0.83 | CA1 (0.36) | — | |
| Zinc Ion SCHEMBL28819502 | 0.83 | CES2 (0.34) | CES2CES1KMT2AELANEMEN1 | |
| Terephthalic Acid SCHEMBL28067237 | 0.83 | TSHR (0.45) | CES2CES1TSHRDAONAPRT |
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-105622641-A | Tetraphenyl ethylene tetra-triazole copper acetate complex with potential fluorescent material and preparation method thereof | UNIV TIANJIN | 2016-06-01 | — | — | CN | disclosed |