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 | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 3/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | TP53 | P04637 | 2/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | PRSS1 | P07477 | 3/20 | 0.51 |
| ▸ | ACR | P10323 | 3/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | CA1 | P00915 | 2/20 | 0.47 |
| ▸ | CA2 | P00918 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA7 | P43166 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| SCHEMBL28541309 | 0.84 | NPC1 (0.55) | TP53KMT2AMEN1CA1CA2 | |
| SCHEMBL4049434 | 0.83 | CA1 (0.63) | MAPTTP53ACRKMT2AMEN1 | |
| SCHEMBL3665174 | 0.81 | CA1 (0.69) | MAPTPRSS1ACRKMT2AMEN1 | |
| SCHEMBL16241062 | 0.81 | CA1 (0.69) | MAPTPRSS1ACRKMT2AMEN1 | |
| SCHEMBL4801606 | 0.80 | ALDH1A1 (0.60) | MAPTALDH1A1TP53CYP1A2CYP3A4 | |
| SCHEMBL7183003 | 0.79 | ACR (0.65) | MAPTLMNAPRSS1ACRKMT2A | |
| SCHEMBL7122948 | 0.78 | ALDH1A1 (0.51) | MAPTALDH1A1TP53CYP1A2CYP3A4 | |
| SCHEMBL7253615 | 0.78 | ALDH1A1 (0.56) | MAPTALDH1A1TP53CYP1A2CYP3A4 | |
| Methoxyamine SCHEMBL28624699 | 0.78 | ALDH1A1 (0.52) | MAPTALDH1A1CYP1A2CYP2C9LMNA | |
| SCHEMBL286762 | 0.78 | PKM (0.67) | ALDH1A1LMNAPRSS1CA1CA2 |
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-108358866-B | Preparation method of febuxostat intermediate and application of febuxostat intermediate in preparation of febuxostat | 江西同和药业股份有限公司 | 2021-03-23 | — | — | CN | claimed |
| CN-108358866-B | Preparation method of febuxostat intermediate and application of febuxostat intermediate in preparation of febuxostat | 江西同和药业股份有限公司 | 2021-03-23 | — | — | CN | disclosed |