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 | |
|---|---|---|---|---|
| ▸ | ADRA1D | P25100 | 1/20 | 0.51 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.51 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | ATM | Q13315 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.41 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.39 |
| ▸ | ACR | P10323 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 4/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | GALR3 | O60755 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8922600 | 0.90 | ADRA1D (0.57) | ADRA1DADRA1AADRA1BALDH1A1KDM4E | |
| SCHEMBL8924282 | 0.82 | ADRA1D (0.58) | ADRA1DADRA1AADRA1BALDH1A1KDM4E | |
| SCHEMBL8923620 | 0.81 | ADRA1D (0.74) | ADRA1DADRA1AADRA1BALDH1A1KDM4E | |
| SCHEMBL8924717 | 0.78 | KMT2A (0.35) | ADRA1DADRA1AADRA1BALDH1A1KDM4E | |
| SCHEMBL8923441 | 0.77 | KMT2A (0.56) | ADRA1DADRA1AADRA1BALDH1A1KDM4E | |
| SCHEMBL8924115 | 0.76 | ALDH1A1 (0.54) | ADRA1DADRA1AADRA1BALDH1A1KDM4E | |
| SCHEMBL8922144 | 0.72 | ADRA1D (0.61) | ADRA1DADRA1AADRA1BALDH1A1KDM4E | |
| SCHEMBL8922909 | 0.71 | ADRA1D (0.88) | ADRA1DADRA1AADRA1BALDH1A1KDM4E | |
| SCHEMBL8926051 | 0.71 | ALDH1A1 (0.49) | ADRA1DADRA1AADRA1BALDH1A1KDM4E | |
| SCHEMBL8922559 | 0.71 | ADRA1D (0.70) | ADRA1DADRA1AADRA1BALDH1A1KDM4E |
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-5624961-A | Benzylaminoethoxybenzene derivatives, production thereof and use thereof | JAPAN TOBACCO INC. (JP) | 1997-04-29 | — | — | US | disclosed |
| EP-0693474-A1 | NOVEL BENZYLAMINOETHOXYBENZENE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF | Toyo Boseki Kabushiki Kaisha (JP) | 1996-01-24 | — | — | EP | disclosed |