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 | |
|---|---|---|---|---|
| ▸ | HTR4 | Q13639 | 8/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | CACNA1I | Q9P0X4 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2333743 | 0.91 | HTR4 (0.46) | HTR4CYP3A4CYP2D6 | |
| SCHEMBL8235725 | 0.86 | IL1B (0.42) | HTR4KCNH2 | |
| SCHEMBL17978241 | 0.79 | HTR4 (0.47) | HTR4CYP3A4CYP2D6 | |
| SCHEMBL2334596 | 0.79 | ALDH1A1 (0.46) | HTR4SMN1; SMN2HPGDKMT2AALDH1A1 | |
| SCHEMBL2332582 | 0.79 | ALDH1A1 (0.46) | HTR4SMN1; SMN2HPGDKMT2AALDH1A1 | |
| Hydrochloric Acid SCHEMBL17978334 | 0.79 | HTR4 (0.46) | HTR4CYP3A4CYP2D6 | |
| SCHEMBL2337252 | 0.79 | ALDH1A1 (0.46) | HTR4SMN1; SMN2HPGDKMT2AALDH1A1 | |
| SCHEMBL7325370 | 0.77 | NR4A2 (0.54) | HTR4CYP3A4CYP2D6LMNA | |
| SCHEMBL17978238 | 0.77 | HTR4 (0.45) | HTR4KCNH2CACNA1I | |
| SCHEMBL5630511 | 0.75 | HTR4 (0.45) | HTR4CYP3A4CYP2D6LMNASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2007048643-A1 | NOVEL COMPOUND | GLAXO GROUP LIMITED (GB) | 2007-05-03 | — | — | WO | disclosed |