Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | KCNJ6 | P48051 | 9/20 | 0.42 |
| ▸ | KCNJ5 | P48544 | 9/20 | 0.42 |
| ▸ | KCNJ3 | P48549 | 9/20 | 0.42 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | CRACR2A | Q9BSW2 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6616472 | 0.98 | NPC1 (0.47) | NPC1RAB9ASMN1; SMN2KCNJ6KCNJ5 | |
| SCHEMBL6614988 | 0.96 | NPC1 (0.50) | NPC1RAB9ASMN1; SMN2KCNJ6KCNJ5 | |
| SCHEMBL6628153 | 0.93 | RAB9A (0.48) | NPC1RAB9ASMN1; SMN2KCNJ6KCNJ5 | |
| SCHEMBL6615720 | 0.91 | ACHE (0.44) | NPC1RAB9ASMN1; SMN2KCNJ6KCNJ5 | |
| SCHEMBL6617972 | 0.89 | ACHE (0.44) | NPC1RAB9ASMN1; SMN2KCNJ6KCNJ5 | |
| SCHEMBL6613131 | 0.88 | KCNJ6 (0.42) | NPC1RAB9ASMN1; SMN2KCNJ6KCNJ5 | |
| SCHEMBL6617632 | 0.85 | MAPT (0.47) | NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL6618249 | 0.85 | ALDH1A1 (0.45) | NPC1RAB9ASMN1; SMN2KDM4CALDH1A1 | |
| SCHEMBL6629779 | 0.84 | ALDH1A1 (0.41) | NPC1RAB9ASMN1; SMN2KDM4CALDH1A1 | |
| SCHEMBL6616621 | 0.84 | SMN1; SMN2 (0.40) | NPC1RAB9ASMN1; SMN2KDM4CALDH1A1 |
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 |