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 | |
|---|---|---|---|---|
| ▸ | OPRK1 known ✓ | P41145 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | ANPEP | P15144 | 5/20 | 0.33 |
| ▸ | ERAP2 | Q6P179 | 4/20 | 0.33 |
| ▸ | SLC2A1 | P11166 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ITGB1 | P05556 | 2/20 | 0.33 |
| ▸ | ITGA5 | P08648 | 2/20 | 0.33 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.33 |
| ▸ | ITGAV | P06756 | 1/20 | 0.33 |
| ▸ | S1PR2 | O95136 | 2/20 | 0.32 |
| ▸ | S1PR4 | O95977 | 2/20 | 0.32 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.32 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.32 |
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 SCHEMBL29156192 | 0.91 | P2RY6 (0.36) | TSHRALDH1A1CYP1A2CYP2D6MEN1 | |
| Acetic Acid SCHEMBL27982197 | 0.83 | ANPEP (0.46) | TSHRALDH1A1CYP1A2CYP2D6MEN1 | |
| Acetic Acid SCHEMBL29122761 | 0.82 | CYP3A4 (0.44) | TSHRCYP3A4CYP1A2MEN1KMT2A | |
| Acetic Acid SCHEMBL14322290 | 0.81 | OPRK1 (0.33) | CYP3A4ALDH1A1MEN1KMT2AKDM4E | |
| Acetic Acid SCHEMBL28995037 | 0.80 | ANPEP (0.40) | TSHRALDH1A1CYP1A2CYP2D6MEN1 | |
| SCHEMBL28134518 | 0.76 | SIGMAR1 (0.47) | ALDH1A1CYP1A2CYP2D6MEN1KMT2A | |
| Acetic Acid SCHEMBL8076699 | 0.73 | OPRD1 (0.36) | MEN1KMT2AKDM4EOPRK1 | |
| Acetic Acid SCHEMBL10448268 | 0.73 | P2RY6 (0.41) | ALDH1A1MEN1KMT2AKDM4ES1PR2 | |
| Acetic Acid SCHEMBL14322291 | 0.70 | APAF1 (0.39) | TSHRCYP1A2CYP2D6MEN1KMT2A | |
| SCHEMBL12252425 | 0.69 | KMT2A (0.54) | TSHRCYP3A4ALDH1A1CYP1A2KMT2A |
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-114832119-B | Radioactive gel microsphere and preparation method and application thereof | 苏州大学 | 2024-02-09 | — | — | CN | claimed |
| CN-114832119-B | Radioactive gel microsphere and preparation method and application thereof | 苏州大学 | 2024-02-09 | — | — | CN | disclosed |