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 | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 8/20 | 0.57 |
| ▸ | RAB9A | P51151 | 8/20 | 0.57 |
| ▸ | MAPT | P10636 | 3/20 | 0.57 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.57 |
| ▸ | HTT | P42858 | 1/20 | 0.57 |
| ▸ | ACP1 | P24666 | 2/20 | 0.53 |
| ▸ | MEN1 | O00255 | 6/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.52 |
| ▸ | HPGD | P15428 | 2/20 | 0.52 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.52 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.52 |
| ▸ | RELA | Q04206 | 2/20 | 0.52 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.52 |
| ▸ | TP53 | P04637 | 2/20 | 0.51 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.51 |
| ▸ | KLK7 | P49862 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL3347454 | 1.00 | NPC1 (0.57) | NPC1RAB9AMAPTOPRK1HTT | |
| SCHEMBL2482227 | 0.91 | NPC1 (0.57) | NPC1RAB9AMAPTHTTMEN1 | |
| SCHEMBL2482226 | 0.91 | NPC1 (0.57) | NPC1RAB9AMAPTHTTMEN1 | |
| SCHEMBL12225801 | 0.91 | NPC1 (0.67) | NPC1RAB9AMAPTOPRK1HTT | |
| Bromide SCHEMBL3349555 | 0.90 | NPC1 (0.66) | NPC1RAB9AMAPTOPRK1HTT | |
| Bromide SCHEMBL3349551 | 0.90 | NPC1 (0.66) | NPC1RAB9AMAPTOPRK1HTT | |
| SCHEMBL2482196 | 0.86 | MAPT (0.55) | NPC1RAB9AMAPTOPRK1HTT | |
| SCHEMBL2482199 | 0.86 | MAPT (0.55) | NPC1RAB9AMAPTOPRK1HTT | |
| SCHEMBL13329540 | 0.82 | NPC1 (0.73) | NPC1RAB9AMAPTOPRK1HTT | |
| SCHEMBL12225797 | 0.79 | HSD17B1 (0.62) | NPC1RAB9AMAPTOPRK1HTT |
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-2010066357-A1 | BENZOTHIAZOLE AMIDES FOR DETECTION OF AMYLOID BETA | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2010-06-17 | — | — | WO | disclosed |