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 | |
|---|---|---|---|---|
| ▸ | PARP1 known ✓ | P09874 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 2/20 | 0.55 |
| ▸ | MEN1 | O00255 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.55 |
| ▸ | TP53 | P04637 | 3/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.50 |
| ▸ | RELA | Q04206 | 1/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.49 |
| ▸ | CA1 | P00915 | 1/20 | 0.49 |
| ▸ | CA2 | P00918 | 1/20 | 0.49 |
| ▸ | CA7 | P43166 | 1/20 | 0.49 |
| ▸ | CA9 | Q16790 | 1/20 | 0.49 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.49 |
| ▸ | STS | P08842 | 2/20 | 0.48 |
| ▸ | CES2 | O00748 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL28535552 | 0.84 | MAPT (0.51) | NPC1MEN1KMT2ATP53RAB9A | |
| SCHEMBL17629345 | 0.83 | PARP1 (0.68) | NPC1MEN1KMT2ATP53SMN1; SMN2 | |
| SCHEMBL3346895 | 0.80 | TP53 (0.46) | NPC1MEN1KMT2ATP53SMN1; SMN2 | |
| SCHEMBL3722704 | 0.76 | NPC1 (0.43) | NPC1MEN1KMT2ATP53SMN1; SMN2 | |
| SCHEMBL3722706 | 0.76 | NPC1 (0.43) | NPC1MEN1KMT2ATP53SMN1; SMN2 | |
| Methyl 3-Hydroxybenzoate SCHEMBL9471152 | 0.75 | TCF4 (0.57) | KMT2AKDM4ECA12CA1CA2 | |
| Aniline SCHEMBL4259194 | 0.75 | PARP1 (0.57) | NPC1MEN1KMT2ATP53SMN1; SMN2 | |
| SCHEMBL14206781 | 0.75 | ESR1 (0.68) | NPC1MEN1KMT2ATP53SMN1; SMN2 | |
| SCHEMBL28546172 | 0.75 | MAPT (0.51) | MEN1KMT2ASMN1; SMN2TSHRRAB9A | |
| SCHEMBL30209485 | 0.74 | HSD11B1 (0.80) | NPC1MEN1KMT2ATP53SMN1; SMN2 |
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 |