Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.58 |
| ▸ | MAPT | P10636 | 5/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.58 |
| ▸ | THRB | P10828 | 2/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.58 |
| ▸ | CCNA2 | P20248 | 9/20 | 0.56 |
| ▸ | CDK2 | P24941 | 9/20 | 0.56 |
| ▸ | CCNO | P22674 | 1/20 | 0.49 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.49 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.44 |
| ▸ | HPGD | P15428 | 5/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6163901 | 0.87 | SMN1; SMN2 (0.46) | ALDH1A1MAPTSMN1; SMN2THRBTDP1 | |
| SCHEMBL6164779 | 0.85 | SMN1; SMN2 (0.44) | ALDH1A1MAPTSMN1; SMN2THRBTDP1 | |
| SCHEMBL6168332 | 0.85 | ALDH1A1 (0.47) | ALDH1A1MAPTSMN1; SMN2THRBTDP1 | |
| SCHEMBL6168301 | 0.84 | SMN1; SMN2 (0.43) | ALDH1A1MAPTSMN1; SMN2THRBTDP1 | |
| SCHEMBL6164944 | 0.84 | CCNA2 (0.62) | ALDH1A1MAPTSMN1; SMN2THRBTDP1 | |
| SCHEMBL6163105 | 0.83 | ALDH1A1 (0.43) | ALDH1A1MAPTSMN1; SMN2THRBTDP1 | |
| SCHEMBL6167296 | 0.83 | HIF1A (0.47) | ALDH1A1MAPTSMN1; SMN2CCNA2CDK2 | |
| SCHEMBL6164260 | 0.79 | ALDH1A1 (0.39) | ALDH1A1MAPTSMN1; SMN2THRBTDP1 | |
| SCHEMBL6166211 | 0.78 | CCNA2 (0.50) | ALDH1A1MAPTSMN1; SMN2THRBTDP1 | |
| SCHEMBL6167242 | 0.77 | ALDH1A1 (0.62) | ALDH1A1MAPTSMN1; SMN2THRBTDP1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1177185-B1 | 4, 5, 6, 7-TETRAHYDROINDAZOLE DERIVATIVES AS ANTITUMOR AGENTS | PHARMACIA ITALIA SPA (IT) | 2005-04-20 | — | — | EP | disclosed |
| US-6716856-B1 | CELL PROLIFERATIVE DISORDERS OR ALZHEIMER'S DISEASE; REDUCED TOXICITY; CDK/CYCLIN KINASE INHIBITORY ACTIVITY | PHARMACIA & TUBJOHN SPA (IT) | 2004-04-06 | — | — | US | disclosed |
| EP-1177185-A1 | 4, 5, 6, 7-TETRAHYDROINDAZOLE DERIVATIVES AS ANTITUMOR AGENTS | PHARMACIA & UPJOHN S.p.A. (IT) | 2002-02-06 | — | — | EP | disclosed |
| WO-2000069846-A1 | 4,5,6,7-TETRAHYDROINDAZOLE DERIVATIVES AS ANTITUMOR AGENTS | PHARMACIA & UPJOHN S.P.A. (IT) | 2000-11-23 | — | — | WO | disclosed |