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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.42 |
| ▸ | ALB | P02768 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | SNCA | P37840 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | G6PD | P11413 | 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 | |
|---|---|---|---|---|
| SCHEMBL1114285 | 0.90 | CYP2D6 (0.44) | ALDH1A1LMNATDP1SMN1; SMN2KDM4E | |
| SCHEMBL11721219 | 0.86 | ALDH1A1 (0.43) | ALDH1A1LMNATDP1SMN1; SMN2KDM4E | |
| SCHEMBL550359 | 0.84 | CYP2D6 (0.47) | ALDH1A1LMNATDP1SMN1; SMN2KDM4E | |
| SCHEMBL29172710 | 0.84 | ALDH1A1 (0.42) | ALDH1A1LMNATDP1SMN1; SMN2KDM4E | |
| SCHEMBL31746567 | 0.84 | ALDH1A1 (0.42) | ALDH1A1LMNATDP1SMN1; SMN2KDM4E | |
| Hexane SCHEMBL7122950 | 0.84 | MCHR1 (0.53) | ALDH1A1LMNATDP1SMN1; SMN2KDM4E | |
| Pentane SCHEMBL28482247 | 0.84 | ALDH1A1 (0.50) | ALDH1A1LMNATDP1SMN1; SMN2KDM4E | |
| SCHEMBL6603272 | 0.83 | CYP2D6 (0.44) | ALDH1A1LMNATDP1SMN1; SMN2KDM4E | |
| Dodecane SCHEMBL7126605 | 0.83 | MCHR1 (0.56) | ALDH1A1LMNATDP1SMN1; SMN2KDM4E | |
| Octane SCHEMBL356741 | 0.83 | MCHR1 (0.56) | ALDH1A1LMNATDP1SMN1; SMN2KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-2101825-A2 | HYPOXIA-SELECTIVE, WEAKLY BASIC 2-NITROIMIDAZOLE DELIVERY AGENTS AND METHODS OF USE THEREOF | Natural Pharmacia International, Inc. (US) | 2009-09-23 | — | — | EP | disclosed |
| WO-2008070336-A2 | HYPOXIA-SELECTIVE, WEAKLY BASIC 2-NITROIMIDAZOLE DELIVERY AGENTS AND METHODS OF USE THEREOF | NATURAL PHARMACIA INTERNATIONAL, INC. (US) | 2008-06-12 | — | — | WO | disclosed |