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 | 5/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | SNCA | P37840 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | MMP1 | P03956 | 1/20 | 0.39 |
| ▸ | MMP2 | P08253 | 1/20 | 0.39 |
| ▸ | MMP9 | P14780 | 1/20 | 0.39 |
| ▸ | MMP8 | P22894 | 1/20 | 0.39 |
| ▸ | MMP13 | P45452 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Iodobenzene SCHEMBL3170250 | 0.84 | SMN1; SMN2 (0.56) | ALDH1A1TDP1HTTL3MBTL1MAPT | |
| Iodobenzene SCHEMBL28504977 | 0.84 | SMN1; SMN2 (0.56) | ALDH1A1TDP1HTTL3MBTL1MAPT | |
| SCHEMBL3346895 | 0.83 | TP53 (0.46) | ALDH1A1TDP1HTTL3MBTL1SMN1; SMN2 | |
| Iodobenzene SCHEMBL28489438 | 0.83 | SMN1; SMN2 (0.50) | ALDH1A1TDP1HTTL3MBTL1MAPT | |
| SCHEMBL18423828 | 0.82 | KMT2A (0.50) | ALDH1A1HTTMAPTLMNAKDM4E | |
| SCHEMBL3349093 | 0.81 | ALDH1A1 (0.50) | ALDH1A1TDP1HTTL3MBTL1MAPT | |
| Metacresol SCHEMBL4408619 | 0.81 | ACHE (0.61) | ALDH1A1TDP1HTTL3MBTL1MAPT | |
| Toluene SCHEMBL180606 | 0.79 | SMN1; SMN2 (0.65) | ALDH1A1TDP1HTTL3MBTL1MAPT | |
| Benzene SCHEMBL28437138 | 0.79 | SMN1; SMN2 (0.58) | ALDH1A1TDP1HTTL3MBTL1MAPT | |
| Benzene SCHEMBL5085625 | 0.79 | SMN1; SMN2 (0.64) | ALDH1A1TDP1HTTL3MBTL1MAPT |
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 |