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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP13 | P45452 | 2/20 | 0.45 |
| ▸ | GPR119 | Q8TDV5 | 5/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | RORC | P51449 | 1/20 | 0.40 |
| ▸ | PDE5A | O76074 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | STS | P08842 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1970276 | 1.00 | MMP13 (0.45) | MMP13GPR119HDAC1HDAC2KMT2A | |
| SCHEMBL1971592 | 1.00 | MMP13 (0.45) | MMP13GPR119HDAC1HDAC2KMT2A | |
| SCHEMBL30693146 | 1.00 | MMP13 (0.45) | MMP13GPR119HDAC1HDAC2KMT2A | |
| SCHEMBL30693162 | 0.95 | GPR119 (0.47) | MMP13GPR119KMT2ARORCMEN1 | |
| SCHEMBL1971128 | 0.95 | GPR119 (0.47) | MMP13GPR119KMT2ARORCMEN1 | |
| SCHEMBL30693153 | 0.92 | RORC (0.44) | MMP13GPR119HDAC1HDAC2KMT2A | |
| SCHEMBL1972564 | 0.92 | RORC (0.44) | MMP13GPR119HDAC1HDAC2KMT2A | |
| SCHEMBL1969930 | 0.91 | RORC (0.46) | MMP13GPR119KMT2ARORCSTS | |
| SCHEMBL30693188 | 0.91 | RORC (0.46) | MMP13GPR119KMT2ARORCSTS | |
| SCHEMBL1970746 | 0.90 | STS (0.51) | MMP13GPR119KMT2APDE5AMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| US-RE49686-E1 | Nitrogen-containing heterocyclic compound and use of same | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2023-10-10 | — | — | US | disclosed |