Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 4/20 | 0.68 |
| ▸ | NPC1 | O15118 | 5/20 | 0.51 |
| ▸ | RAB9A | P51151 | 5/20 | 0.51 |
| ▸ | MAPT | P10636 | 4/20 | 0.51 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.51 |
| ▸ | NFKB2 | Q00653 | 3/20 | 0.51 |
| ▸ | RELA | Q04206 | 3/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.51 |
| ▸ | PKM | P14618 | 2/20 | 0.51 |
| ▸ | MAOB | P27338 | 1/20 | 0.51 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.51 |
| ▸ | NAMPT | P43490 | 1/20 | 0.49 |
| ▸ | HTR2C | P28335 | 3/20 | 0.44 |
| ▸ | HTR2B | P41595 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | BIRC2 | Q13490 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL17311689 | 0.84 | ROCK1 (0.86) | ROCK1NPC1RAB9AMAPTNFKB1 | |
| SCHEMBL15880923 | 0.83 | ROCK1 (0.83) | ROCK1NPC1RAB9AMAPTNFKB1 | |
| SCHEMBL17321514 | 0.81 | ROCK1 (0.87) | ROCK1NPC1RAB9AMAPTNFKB1 | |
| SCHEMBL15897992 | 0.81 | ROCK1 (1.00) | ROCK1NPC1RAB9AMAPTNFKB1 | |
| SCHEMBL17321521 | 0.80 | ROCK1 (0.81) | ROCK1NPC1RAB9AMAPTNFKB1 | |
| SCHEMBL15882083 | 0.78 | ROCK1 (0.79) | ROCK1NPC1RAB9AMAPTNFKB1 | |
| SCHEMBL19675231 | 0.77 | NPC1 (0.67) | ROCK1NPC1RAB9AMAPTNFKB1 | |
| SCHEMBL15897761 | 0.76 | NPC1 (0.66) | ROCK1NPC1RAB9AMAPTNFKB1 | |
| SCHEMBL19675184 | 0.76 | NPC1 (0.66) | ROCK1NPC1RAB9AMAPTNFKB1 | |
| SCHEMBL15897878 | 0.73 | ROCK1 (0.59) | ROCK1NPC1RAB9AMAPTNFKB1 |
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-2945943-A2 | PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS | Bristol-Myers Squibb Company (US) | 2015-11-25 | — | — | EP | disclosed |
| WO-2014113620-A2 | PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2014-07-24 | — | — | WO | disclosed |