Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PADI4 | Q9UM07 | 3/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.39 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.38 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | KDM1A | O60341 | 1/20 | 0.36 |
| ▸ | RCOR1 | Q9UKL0 | 1/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.36 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.36 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.36 |
| ▸ | HPGDS | O60760 | 1/20 | 0.36 |
| ▸ | BACE1 | P56817 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6619739 | 0.94 | ROCK2 (0.37) | PADI4HDAC1HDAC6ROCK2GRM1 | |
| SCHEMBL6615890 | 0.93 | ROCK2 (0.37) | HDAC1HDAC6ROCK2NPC1RAB9A | |
| SCHEMBL6617846 | 0.90 | ROCK2 (0.40) | HDAC1HDAC6ROCK2NPC1RAB9A | |
| SCHEMBL6614083 | 0.90 | GRM1 (0.39) | HDAC1HDAC6ROCK2NPC1RAB9A | |
| SCHEMBL6615533 | 0.85 | ROCK2 (0.38) | HDAC1HDAC6ROCK2NPC1RAB9A | |
| SCHEMBL6615637 | 0.85 | ROCK2 (0.39) | HDAC1HDAC6ROCK2NPC1RAB9A | |
| SCHEMBL6617389 | 0.85 | ROCK2 (0.40) | HDAC1HDAC6ROCK2NPC1RAB9A | |
| SCHEMBL6615384 | 0.83 | TP53 (0.45) | NPC1RAB9AHPGD | |
| SCHEMBL6615668 | 0.83 | KDM4C (0.49) | HDAC1PARP1HPGDCRACR2A | |
| SCHEMBL6619894 | 0.83 | KMT2A (0.39) | HPGDCRACR2A |
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-1458379-A1 | HYDROXYPHENYL-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM | Pharmacia Italia S.p.A. (IT) | 2004-09-22 | — | — | EP | claimed |
| WO-2003051358-A1 | HYDROXYPHENYL-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM | PHARMACIA ITALIA SPA (IT) | 2003-06-26 | — | — | WO | claimed |