Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 3/20 | 0.37 |
| ▸ | CNR1 | P21554 | 2/20 | 0.37 |
| ▸ | PARP1 | P09874 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 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 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | BACE1 | P56817 | 1/20 | 0.36 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.36 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6615890 | 0.92 | ROCK2 (0.37) | ROCK2CNR2CNR1PARP1HDAC1 | |
| SCHEMBL6619739 | 0.85 | ROCK2 (0.37) | ROCK2CNR2CNR1PARP1HDAC1 | |
| SCHEMBL6618361 | 0.85 | PADI4 (0.40) | ROCK2PARP1HDAC1HDAC6HDAC3 | |
| SCHEMBL6617100 | 0.84 | NPC1 (0.40) | ALDH1A1MAPTKMT2AMEN1NPC1 | |
| SCHEMBL6621094 | 0.84 | PPARG (0.43) | ROCK2CNR1ALDH1A1MAPTKMT2A | |
| SCHEMBL6646084 | 0.84 | ACKR3 (0.41) | ALDH1A1MAPTKMT2AMEN1NPC1 | |
| SCHEMBL6616947 | 0.83 | SSTR3 (0.43) | ALDH1A1MAPTPOLB | |
| SCHEMBL6618467 | 0.83 | RAB9A (0.39) | CNR1ALDH1A1KMT2AMEN1NPC1 | |
| SCHEMBL6616341 | 0.83 | HPGD (0.43) | CNR1ALDH1A1KMT2AMEN1NPC1 | |
| SCHEMBL6621376 | 0.83 | KMT2A (0.39) | CNR1ALDH1A1MAPTKMT2AMEN1 |
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 | disclosed |
| 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 | disclosed |