Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADAM17 | P78536 | 1/20 | 0.39 |
| ▸ | ITGB3 | P05106 | 8/20 | 0.38 |
| ▸ | ITGA2B | P08514 | 8/20 | 0.38 |
| ▸ | ITGB2 | P05107 | 2/20 | 0.38 |
| ▸ | ICAM1 | P05362 | 2/20 | 0.38 |
| ▸ | ITGAL | P20701 | 2/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | AR | P10275 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | TRPV3 | Q8NET8 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1198946 | 0.81 | KDM4E (0.47) | ITGB3ITGA2BITGB2ICAM1ITGAL | |
| SCHEMBL1198797 | 0.80 | KDM4E (0.53) | ITGB3ITGA2BITGB2ICAM1ITGAL | |
| SCHEMBL1199217 | 0.73 | KDM4E (0.61) | ITGB3ITGA2BITGB2ICAM1ITGAL | |
| SCHEMBL1197463 | 0.72 | ITGB2 (0.52) | ITGB3ITGA2BITGB2ICAM1ITGAL | |
| SCHEMBL1198442 | 0.70 | KDM4E (0.56) | ITGB3ITGA2BITGB2ICAM1ITGAL | |
| SCHEMBL13650613 | 0.70 | AR (0.55) | ADAM17ITGB2ICAM1ITGALALDH1A1 | |
| SCHEMBL1198067 | 0.70 | KDM4E (0.49) | ITGB3ITGA2BITGB2ICAM1ITGAL | |
| SCHEMBL1198444 | 0.70 | MAPT (0.48) | ITGB2ICAM1ITGALTRPA1ALDH1A1 | |
| SCHEMBL1197814 | 0.70 | MEN1 (0.48) | ITGB2ICAM1ITGALALDH1A1KDM4E | |
| SCHEMBL1198790 | 0.68 | ITGB2 (0.45) | ITGB3ITGA2BITGB2ICAM1ITGAL |
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-2009123316-A1 | HETEROCYCLIC DERIVATIVE AND USE THEREOF | 武田薬品工業株式会社 (JP) | 2009-10-08 | — | — | WO | disclosed |