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 | 6/20 | 0.71 |
| ▸ | HPGD | P15428 | 4/20 | 0.71 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.71 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.71 |
| ▸ | TSHR | P16473 | 2/20 | 0.71 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.71 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.50 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.50 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 2/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | GLA | P06280 | 1/20 | 0.46 |
| ▸ | PTBP1 | P26599 | 1/20 | 0.46 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.46 |
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 SCHEMBL27357071 | 1.00 | ALDH1A1 (0.71) | ALDH1A1HPGDHSD17B10CYP3A4TSHR | |
| Carbamic Acid SCHEMBL6583530 | 0.89 | ALDH1A1 (0.74) | ALDH1A1HPGDHSD17B10CYP3A4TSHR | |
| Oxalic Acid SCHEMBL4292229 | 0.89 | ALDH1A1 (0.74) | ALDH1A1HPGDHSD17B10CYP3A4TSHR | |
| Benzene SCHEMBL22289542 | 0.87 | ALDH1A1 (0.94) | ALDH1A1HPGDHSD17B10CYP3A4TSHR | |
| Propionic Acid SCHEMBL30668813 | 0.86 | ALDH1A1 (0.63) | ALDH1A1HPGDHSD17B10CYP3A4TSHR | |
| SCHEMBL28439951 | 0.85 | ALDH1A1 (0.61) | ALDH1A1HPGDHSD17B10CYP3A4TSHR | |
| Fumaric Acid SCHEMBL4285420 | 0.85 | ALDH1A1 (0.61) | ALDH1A1HPGDHSD17B10CYP3A4TSHR | |
| Ethane SCHEMBL2454988 | 0.84 | ALDH1A1 (0.90) | ALDH1A1HPGDHSD17B10CYP3A4TSHR | |
| SCHEMBL4941999 | 0.84 | ALDH1A1 (1.00) | ALDH1A1HPGDHSD17B10CYP3A4TSHR | |
| SCHEMBL9029 | 0.84 | ALDH1A1 (1.00) | ALDH1A1HPGDHSD17B10CYP3A4TSHR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111328568-B | Long-branch grafting method for accelerating outplanting of macadamia nut seedlings | 广西南亚热带农业科学研究所 | 2022-05-27 | — | — | CN | disclosed |
| CN-108966926-B | Old seedling raising device suitable for mechanical transplanting and application thereof | 江苏徐淮地区淮阴农业科学研究所 | 2020-09-18 | — | — | CN | disclosed |
| CN-111328568-A | Long-branch grafting method for accelerating outplanting of macadamia nut seedlings | 广西南亚热带农业科学研究所 | 2020-06-26 | — | — | CN | disclosed |
| CN-109721630-A | A kind of synthetic method of Ugi ' s amine and its derivative | 上海茂晟康慧科技有限公司 | 2019-05-07 | — | — | CN | disclosed |