Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.38 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | CCR5 | P51681 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | PKM | P14618 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL6618519 | 0.95 | ALDH1A1 (0.42) | ALDH1A1TDP1KDM4EHSD17B10HPGD | |
| SCHEMBL6618491 | 0.91 | MEN1 (0.45) | ALDH1A1HSD17B10HPGDPOLBERCC1 | |
| SCHEMBL6618845 | 0.90 | HPGD (0.39) | ALDH1A1TDP1KDM4EHSD17B10HPGD | |
| SCHEMBL6619748 | 0.89 | ALDH1A1 (0.38) | ALDH1A1KDM4EHPGDPOLBERCC1 | |
| SCHEMBL6619787 | 0.88 | MAPK14 (0.41) | ALDH1A1POLBMAPTUSP2CCR5 | |
| SCHEMBL6615761 | 0.88 | KDM5A (0.39) | ALDH1A1TDP1KDM4EHPGDPOLB | |
| SCHEMBL6618495 | 0.87 | GNRHR (0.40) | ALDH1A1KDM4EHSD17B10HPGDMAPT | |
| SCHEMBL6618455 | 0.86 | LMNA (0.39) | ALDH1A1KDM4EHPGDPOLBMAPT | |
| SCHEMBL6618170 | 0.86 | MEN1 (0.47) | ALDH1A1POLBERCC1ERCC4MAPT | |
| SCHEMBL6618768 | 0.86 | MEN1 (0.46) | ALDH1A1HSD17B10HPGDPOLBMAPT |
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 |