Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | ITGB3 | P05106 | 7/20 | 0.41 |
| ▸ | ITGA2B | P08514 | 7/20 | 0.41 |
| ▸ | CTSK | P43235 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 5/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.39 |
| ▸ | NPC1 | O15118 | 4/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | ACE | P12821 | 1/20 | 0.38 |
| ▸ | ACE2 | Q9BYF1 | 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 | |
|---|---|---|---|---|
| SCHEMBL15564582 | 0.80 | PPARA (0.56) | ITGB3ITGA2BCTSKACE | |
| SCHEMBL15564586 | 0.80 | PPARA (0.56) | ITGB3ITGA2BCTSKACE | |
| SCHEMBL6567171 | 0.79 | PRNP (0.44) | ITGB3ITGA2BRAB9AHPGDSMN1; SMN2 | |
| SCHEMBL6654285 | 0.78 | ITGB3 (0.41) | ALDH1A1ITGB3ITGA2BCTSKRAB9A | |
| SCHEMBL6654073 | 0.77 | CYP3A4 (0.54) | ALDH1A1ITGB3ITGA2BCTSKRAB9A | |
| SCHEMBL15564679 | 0.77 | ALDH1A1 (0.43) | ALDH1A1HSD17B10CTSKRAB9ALMNA | |
| SCHEMBL14844668 | 0.77 | EPHX1 (0.42) | ALDH1A1ITGB3ITGA2BRAB9AHPGD | |
| SCHEMBL6692021 | 0.77 | EPHX1 (0.42) | ALDH1A1ITGB3ITGA2BRAB9AHPGD | |
| SCHEMBL7447301 | 0.76 | CTSK (0.44) | CTSKRAB9ALMNAHPGDTDP1 | |
| SCHEMBL10937517 | 0.76 | PPARA (0.61) | CTSKACE |
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-2882725-A1 | SUBSTITUTED HETERO-AZEPINONES | F. Hoffmann-La Roche AG (CH) | 2015-06-17 | — | — | EP | disclosed |
| WO-2014023708-A1 | SUBSTITUTED HETERO-AZEPINONES | F. HOFFMANN-LA ROCHE AG (CH) | 2014-02-13 | — | — | WO | disclosed |