Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | GLA | P06280 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | POLL | Q9UGP5 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | EP300 | Q09472 | 1/20 | 0.36 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | CASP1 | P29466 | 1/20 | 0.32 |
| ▸ | CASP7 | P55210 | 1/20 | 0.32 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6162358 | 0.85 | HTT (0.46) | ALDH1A1KDM4EGLAGAAHPGD | |
| SCHEMBL6165490 | 0.77 | LMNA (0.49) | ALDH1A1GLAGAAHPGDKMT2A | |
| SCHEMBL6167036 | 0.76 | RIPK3 (0.39) | ALDH1A1HPGDBRD4EP300CREBBP | |
| SCHEMBL6166254 | 0.76 | ALDH1A1 (0.38) | ALDH1A1KDM4EGAAHPGDBRD4 | |
| SCHEMBL6165983 | 0.76 | ATM (0.44) | ALDH1A1KDM4EGLAGAAHPGD | |
| SCHEMBL6166453 | 0.75 | ALDH1A1 (0.39) | ALDH1A1GAAHPGDBRD4EP300 | |
| SCHEMBL6167558 | 0.74 | BRD4 (0.31) | BRD4EP300CREBBP | |
| SCHEMBL6163581 | 0.73 | CYP1A2 (0.36) | ALDH1A1KDM4EGLAHPGDKMT2A | |
| SCHEMBL6165037 | 0.71 | MAOB (0.42) | ALDH1A1GLAGAAKMT2AMAPT | |
| SCHEMBL6164339 | 0.69 | HTT (0.34) | BRD4EP300CREBBP |
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 |