Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 1/20 | 0.40 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.38 |
| ▸ | BACE1 | P56817 | 1/20 | 0.37 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.37 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 4/20 | 0.36 |
| ▸ | RAB9A | P51151 | 4/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | PARP1 | P09874 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 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 | |
|---|---|---|---|---|
| SCHEMBL6617846 | 0.88 | ROCK2 (0.40) | ROCK2GRM1BACE1BACE2IMPDH2 | |
| SCHEMBL6618361 | 0.85 | PADI4 (0.40) | ROCK2GRM1BACE1BACE2IMPDH2 | |
| SCHEMBL6615533 | 0.85 | ROCK2 (0.38) | ROCK2GRM1BACE1BACE2IMPDH2 | |
| SCHEMBL6619739 | 0.84 | ROCK2 (0.37) | ROCK2GRM1BACE1BACE2IMPDH2 | |
| SCHEMBL6615890 | 0.83 | ROCK2 (0.37) | ROCK2GRM1BACE1BACE2NPC1 | |
| SCHEMBL6617207 | 0.82 | CRACR2A (0.46) | NPC1RAB9AKMT2ASMN1; SMN2MAPT | |
| SCHEMBL6614083 | 0.82 | GRM1 (0.39) | ROCK2GRM1NPC1RAB9AHDAC1 | |
| SCHEMBL6617588 | 0.82 | KDM5A (0.42) | NPC1RAB9AKMT2APOLBSMN1; SMN2 | |
| SCHEMBL6616939 | 0.81 | ALDH1A1 (0.39) | NPC1RAB9ATSHRKMT2ASMN1; SMN2 | |
| SCHEMBL6603775 | 0.81 | TYK2 (0.41) | NPC1RAB9AKMT2ASMN1; SMN2CRACR2A |
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 |