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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | RORC | P51449 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8123806 | 0.87 | KMT2A (0.48) | KMT2AALDH1A1POLBSMN1; SMN2ATM | |
| SCHEMBL8132159 | 0.71 | HTT (0.63) | KMT2APOLBSMN1; SMN2GAA | |
| SCHEMBL7974241 | 0.70 | MEN1 (0.45) | KMT2AALDH1A1POLBMAPTSMN1; SMN2 | |
| SCHEMBL22509402 | 0.69 | HTR6 (0.40) | MAPTL3MBTL1 | |
| Ethyl Propionate SCHEMBL28248668 | 0.68 | CYP1A2 (0.51) | KMT2AALDH1A1POLBMAPTSMN1; SMN2 | |
| SCHEMBL30798294 | 0.67 | LMNA (0.43) | KMT2AMAPTSMN1; SMN2CYP2C19GAA | |
| SCHEMBL30706270 | 0.66 | CYP2D6 (0.39) | KMT2AALDH1A1POLBMAPTSMN1; SMN2 | |
| SCHEMBL3739461 | 0.65 | MAPT (0.44) | ALDH1A1POLBMAPTSMN1; SMN2CYP2C19 | |
| SCHEMBL8632092 | 0.65 | ALDH1A1 (0.55) | ALDH1A1SMN1; SMN2KDM4EHSD17B10 | |
| Aziridine SCHEMBL5185484 | 0.64 | ALDH1A1 (0.50) | ALDH1A1POLBMAPTSMN1; SMN2GAA |
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 |
|---|---|---|---|---|---|---|---|
| US-6265418-B1 | ANTICOAGULANTS | UBE INDUSTRIES, LTD. (JP) | 2001-07-24 | — | — | US | disclosed |
| EP-1020467-A1 | N-ACYLAMINO ACID AMIDE COMPOUNDS AND INTERMEDIATES FOR PREPARATION THEREOF | UBE INDUSTRIES LIMITED (JP) | 2000-07-19 | — | — | EP | disclosed |