Known targets — ChEMBL curated mechanism
ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of None. 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 | |
|---|---|---|---|---|
| ▸ | PSIP1 | O75475 | 1/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | CA1 | P00915 | 5/20 | 0.53 |
| ▸ | CA2 | P00918 | 5/20 | 0.53 |
| ▸ | CA9 | Q16790 | 5/20 | 0.53 |
| ▸ | CA12 | O43570 | 3/20 | 0.53 |
| ▸ | CA7 | P43166 | 3/20 | 0.53 |
| ▸ | CA6 | P23280 | 2/20 | 0.53 |
| ▸ | CA5A | P35218 | 2/20 | 0.53 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.53 |
| ▸ | CA4 | P22748 | 2/20 | 0.53 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.53 |
| ▸ | MAPT | P10636 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | CA3 | P07451 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | NT5E | P21589 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| Benzylamine SCHEMBL5820436 | 0.91 | BCHE (0.54) | PSIP1CYP1A2CYP2C9CA9CA12 | |
| SCHEMBL1754798 | 0.90 | CA1 (0.64) | PSIP1CYP1A2CYP2C9CA1CA2 | |
| Benzylamine SCHEMBL29166910 | 0.90 | BCHE (0.53) | PSIP1CYP1A2CYP2C9CA1CA2 | |
| SCHEMBL9129390 | 0.90 | CYP19A1 (0.51) | PSIP1CYP1A2CYP2C9CA1CA2 | |
| Water SCHEMBL4060844 | 0.88 | CA1 (0.61) | PSIP1CYP1A2CYP2C9CA1CA2 | |
| SCHEMBL4101357 | 0.88 | CA1 (0.61) | PSIP1CYP1A2CYP2C9CA1CA2 | |
| Hydrochloric Acid SCHEMBL27280069 | 0.88 | CA1 (0.65) | PSIP1CA1CA2CA9CA12 | |
| Ethylenediamine SCHEMBL11226382 | 0.86 | ALDH1A1 (0.52) | CYP1A2CYP2C9CA1CA2CA9 | |
| Ethylenediamine SCHEMBL769088 | 0.86 | ALDH1A1 (0.52) | CYP1A2CYP2C9CA1CA2CA9 | |
| Ethylamine SCHEMBL3808345 | 0.86 | ALDH1A1 (0.52) | CYP1A2CYP2C9CA1CA2CA9 |
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-108997425-B | Method for preparing high-content fosfomycin trometamol | 湖南华纳大药厂手性药物有限公司 | 2020-11-13 | — | — | CN | disclosed |