Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | TYR | P14679 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CASP3 | P42574 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | GNRHR | P30968 | 1/20 | 0.37 |
| ▸ | NAMPT | P43490 | 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 | |
|---|---|---|---|---|
| SCHEMBL6615819 | 0.92 | NPSR1 (0.40) | ALDH1A1KDM4EHPGDHSD17B10NPC1 | |
| SCHEMBL6617042 | 0.87 | ALDH1A1 (0.44) | ALDH1A1KDM4EHPGDHSD17B10NPC1 | |
| SCHEMBL6617380 | 0.87 | CYP3A4 (0.43) | ALDH1A1KDM4EHPGDHSD17B10NPC1 | |
| SCHEMBL6616543 | 0.87 | KMT2A (0.42) | ALDH1A1KDM4EHPGDHSD17B10NPC1 | |
| SCHEMBL6615512 | 0.86 | ALDH1A1 (0.43) | ALDH1A1KDM4EHPGDHSD17B10NPC1 | |
| SCHEMBL6614766 | 0.85 | ALDH1A1 (0.41) | ALDH1A1KDM4EHPGDHSD17B10NPC1 | |
| SCHEMBL6614370 | 0.85 | KMT2A (0.45) | LMNANPSR1 | |
| SCHEMBL6605166 | 0.85 | TYK2 (0.43) | NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL6617027 | 0.85 | CYP3A4 (0.41) | ALDH1A1KDM4EHPGDHSD17B10NPC1 | |
| SCHEMBL6617672 | 0.85 | CRACR2A (0.47) | ALDH1A1KDM4EHSD17B10MAPTRAB9A |
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 |