Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | THRB | P10828 | 2/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.42 |
| ▸ | HPGD | P15428 | 4/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | CCNA2 | P20248 | 8/20 | 0.41 |
| ▸ | CDK2 | P24941 | 8/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | CCNO | P22674 | 1/20 | 0.41 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.41 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6167242 | 0.84 | ALDH1A1 (0.62) | ALDH1A1MAPTSMN1; SMN2THRBTDP1 | |
| SCHEMBL6167303 | 0.82 | ALDH1A1 (0.45) | ALDH1A1MAPTSMN1; SMN2KDM4EHPGD | |
| SCHEMBL6164595 | 0.81 | CCNA2 (0.47) | ALDH1A1MAPTSMN1; SMN2THRBTDP1 | |
| SCHEMBL6164726 | 0.81 | CCNA2 (0.47) | ALDH1A1MAPTSMN1; SMN2THRBTDP1 | |
| SCHEMBL6164472 | 0.80 | ALDH1A1 (0.48) | ALDH1A1MAPTSMN1; SMN2THRBTDP1 | |
| SCHEMBL6165207 | 0.80 | ALDH1A1 (0.46) | ALDH1A1MAPTSMN1; SMN2THRBTDP1 | |
| SCHEMBL6164396 | 0.79 | ALDH1A1 (0.41) | ALDH1A1MAPTSMN1; SMN2THRBTDP1 | |
| SCHEMBL6165407 | 0.78 | ALDH1A1 (0.46) | ALDH1A1MAPTSMN1; SMN2THRBTDP1 | |
| SCHEMBL6164779 | 0.78 | SMN1; SMN2 (0.44) | ALDH1A1MAPTSMN1; SMN2THRBTDP1 | |
| SCHEMBL6163605 | 0.78 | ALDH1A1 (0.51) | 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 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 |