Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | TSHR | P16473 | 3/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | CCNA2 | P20248 | 2/20 | 0.48 |
| ▸ | CDK2 | P24941 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.47 |
| ▸ | OPRM1 | P35372 | 4/20 | 0.44 |
| ▸ | CSNK2A2 | P19784 | 3/20 | 0.44 |
| ▸ | CSNK2B | P67870 | 3/20 | 0.44 |
| ▸ | CSNK2A1 | P68400 | 3/20 | 0.44 |
| ▸ | ABCG2 | Q9UNQ0 | 3/20 | 0.44 |
| ▸ | CSNK2A3 | Q8NEV1 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL6771250 | 0.86 | OPRM1 (0.45) | ALDH1A1TSHRMAPTHPGDHTT | |
| SCHEMBL6777711 | 0.85 | OPRM1 (0.45) | ALDH1A1TSHRMAPTHPGDHTT | |
| SCHEMBL6772063 | 0.84 | OPRM1 (0.48) | MAPTHTTSMN1; SMN2MEN1KMT2A | |
| SCHEMBL6771511 | 0.84 | L3MBTL1 (0.49) | ALDH1A1TSHRMAPTHPGDHTT | |
| SCHEMBL6168193 | 0.83 | ABCG2 (0.42) | ALDH1A1TSHRMAPTHPGDHTT | |
| SCHEMBL6164677 | 0.82 | ABCG2 (0.41) | ALDH1A1TSHRMAPTHPGDHTT | |
| SCHEMBL6164455 | 0.82 | ABCG2 (0.47) | ALDH1A1TSHRMAPTHPGDHTT | |
| SCHEMBL6167296 | 0.82 | HIF1A (0.47) | ALDH1A1TSHRMAPTSMN1; SMN2CCNA2 | |
| SCHEMBL6164944 | 0.81 | CCNA2 (0.62) | ALDH1A1MAPTHPGDHTTSMN1; SMN2 | |
| SCHEMBL6164477 | 0.80 | ABCG2 (0.43) | ALDH1A1TSHRMAPTHPGDHTT |
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-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 |