Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL14540235 | 0.74 | NPC1 (0.31) | NPC1RAB9AHSD17B10 | |
| SCHEMBL14037435 | 0.74 | NPC1 (0.34) | NPC1RAB9AHSD17B10 | |
| SCHEMBL19676646 | 0.73 | — | — | |
| SCHEMBL27249982 | 0.70 | NPC1 (0.30) | NPC1RAB9AHSD17B10 | |
| SCHEMBL20229777 | 0.67 | — | — | |
| SCHEMBL19675724 | 0.66 | ALDH1A1 (0.33) | — | |
| SCHEMBL8017408 | 0.55 | — | — | |
| SCHEMBL19675335 | 0.54 | — | — | |
| SCHEMBL14373993 | 0.54 | — | — | |
| SCHEMBL19675149 | 0.53 | — | — |
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-3252050-A1 | PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS | Bristol-Myers Squibb Company (US) | 2017-12-06 | — | — | EP | disclosed |
| EP-3252049-A1 | PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS | Bristol-Myers Squibb Company (US) | 2017-12-06 | — | — | EP | disclosed |