Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.53 |
| ▸ | CES1 | P23141 | 1/20 | 0.53 |
| ▸ | NPC1 | O15118 | 4/20 | 0.53 |
| ▸ | RAB9A | P51151 | 4/20 | 0.53 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.51 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.50 |
| ▸ | LMNA | P02545 | 3/20 | 0.50 |
| ▸ | MEN1 | O00255 | 3/20 | 0.50 |
| ▸ | PARP1 | P09874 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | KCNK3 | O14649 | 2/20 | 0.44 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL24508716 | 0.85 | NPC1 (0.49) | CES2CES1NPC1RAB9AHDAC1 | |
| SCHEMBL27724420 | 0.84 | CES2 (0.55) | CES2CES1NPC1RAB9AHDAC1 | |
| SCHEMBL6589547 | 0.82 | CES2 (0.68) | CES2CES1NPC1RAB9AHDAC1 | |
| SCHEMBL595365 | 0.79 | CES2 (0.53) | CES2CES1NPC1RAB9AHDAC1 | |
| SCHEMBL21861986 | 0.79 | PARP1 (0.50) | NPC1RAB9AALDH1A1KMT2AMEN1 | |
| SCHEMBL29570653 | 0.78 | KMT2A (0.69) | CES2CES1NPC1RAB9AHDAC1 | |
| SCHEMBL17070601 | 0.78 | KMT2A (0.69) | CES2CES1NPC1RAB9AHDAC1 | |
| SCHEMBL4478269 | 0.78 | NPC1 (0.50) | CES2CES1NPC1RAB9AHDAC1 | |
| SCHEMBL1056526 | 0.78 | KMT2A (0.69) | CES2CES1NPC1RAB9AHDAC1 | |
| SCHEMBL13756147 | 0.77 | TSHR (0.56) | CES2CES1NPC1RAB9AHDAC1 |
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-3252049-A1 | PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS | Bristol-Myers Squibb Company (US) | 2017-12-06 | — | — | EP | disclosed |
| EP-3252050-A1 | PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS | Bristol-Myers Squibb Company (US) | 2017-12-06 | — | — | EP | disclosed |