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 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 7/20 | 0.50 |
| ▸ | HPGD | P15428 | 6/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.50 |
| ▸ | THRB | P10828 | 1/20 | 0.50 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.46 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.46 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.45 |
| ▸ | MEN1 | O00255 | 4/20 | 0.45 |
| ▸ | GLA | P06280 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA4 | P22748 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL29538855 | 1.00 | ALDH1A1 (0.50) | ALDH1A1HSD17B10HPGDCYP1A2THRB | |
| Acetic Acid SCHEMBL28736368 | 1.00 | ALDH1A1 (0.50) | ALDH1A1HSD17B10HPGDCYP1A2THRB | |
| Bicarbonate SCHEMBL2585744 | 0.90 | CYP1A2 (0.55) | ALDH1A1HSD17B10HPGDCYP1A2THRB | |
| Bicarbonate SCHEMBL3836308 | 0.90 | CYP1A2 (0.55) | ALDH1A1HSD17B10HPGDCYP1A2THRB | |
| Bicarbonate SCHEMBL636595 | 0.90 | CYP1A2 (0.55) | ALDH1A1HSD17B10HPGDCYP1A2THRB | |
| Benzo[E]Pyrene SCHEMBL27930636 | 0.89 | ALDH1A1 (0.70) | ALDH1A1HSD17B10HPGDCYP1A2THRB | |
| Methacrylic Acid SCHEMBL16859399 | 0.87 | ALDH1A1 (0.43) | ALDH1A1HSD17B10HPGDCYP1A2THRB | |
| Carbamic Acid SCHEMBL15123720 | 0.85 | ALDH1A1 (0.50) | ALDH1A1HSD17B10HPGDCYP1A2THRB | |
| Carbamic Acid SCHEMBL2581160 | 0.85 | ALDH1A1 (0.50) | ALDH1A1HSD17B10HPGDCYP1A2THRB | |
| SCHEMBL4628576 | 0.85 | CYP1A2 (0.50) | ALDH1A1HSD17B10HPGDCYP1A2THRB |
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-109912433-B | Compound, organic electroluminescent material, organic electroluminescent device, and electronic device | 石家庄诚志永华显示材料有限公司 | 2022-04-08 | — | — | CN | disclosed |