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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.56 |
| ▸ | HPGD | P15428 | 4/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.50 |
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.48 |
| ▸ | MEN1 | O00255 | 3/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | GLA | P06280 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | NSD2 | O96028 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.38 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.38 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.38 |
| ▸ | MYC | P01106 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Benzene SCHEMBL28779493 | 0.90 | CYP1A2 (0.67) | ALDH1A1CYP1A2HPGDHSD17B10KDM4E | |
| Methacrylic Acid SCHEMBL6815378 | 0.90 | ALDH1A1 (0.50) | ALDH1A1CYP1A2HPGDHSD17B10KDM4E | |
| Methacrylic Acid SCHEMBL560416 | 0.90 | ALDH1A1 (0.50) | ALDH1A1CYP1A2HPGDHSD17B10KDM4E | |
| SCHEMBL130783 | 0.88 | CYP1A2 (0.69) | ALDH1A1CYP1A2HPGDHSD17B10KDM4E | |
| Acrylic Acid SCHEMBL3862092 | 0.86 | ALDH1A1 (0.50) | ALDH1A1CYP1A2HPGDHSD17B10KDM4E | |
| Trifluoroacetic Acid SCHEMBL28038831 | 0.86 | ALDH1A1 (0.50) | ALDH1A1CYP1A2HPGDHSD17B10KDM4E | |
| SCHEMBL5400012 | 0.86 | CYP1A2 (0.67) | ALDH1A1CYP1A2HPGDHSD17B10KDM4E | |
| SCHEMBL31498551 | 0.86 | CYP1A2 (0.67) | ALDH1A1CYP1A2HPGDHSD17B10KDM4E | |
| SCHEMBL28536961 | 0.86 | CYP1A2 (0.67) | ALDH1A1CYP1A2HPGDHSD17B10KDM4E | |
| SCHEMBL1309620 | 0.86 | CYP1A2 (0.67) | ALDH1A1CYP1A2HPGDHSD17B10KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| CN-103450714-B | A kind of conductive graphite flake and preparation method thereof | TORAY ADVANCED MATERIALS RESEARCH LABORATORIES (CHINA) CO., LTD. (CN) | 2015-11-25 | — | — | CN | disclosed |
| CN-103450714-A | Conductive graphite flake and preparation method thereof | TORAY ADVANCED MATERIALS RES LAB CHINA CO LTD | 2013-12-18 | — | — | CN | disclosed |