Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.41 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.41 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.37 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.37 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.37 |
| ▸ | FEN1 | P39748 | 1/20 | 0.37 |
| ▸ | AURKA | O14965 | 1/20 | 0.36 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.36 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.36 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.36 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.36 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.35 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.34 |
| ▸ | PDE2A | O00408 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL6401649 | 0.88 | ALDH1A1 (0.53) | NPC1ALDH1A1RAB9ADYRK1AGRM4 | |
| SCHEMBL6768514 | 0.81 | RAB9A (0.49) | NPC1ALDH1A1RAB9AHRH4HRH3 | |
| SCHEMBL7752094 | 0.79 | NPC1 (0.38) | NPC1ALDH1A1RAB9ADYRK1AGRM4 | |
| SCHEMBL151590 | 0.77 | ALDH1A1 (0.59) | NPC1ALDH1A1RAB9ADYRK1AGRM4 | |
| Hydrochloric Acid SCHEMBL10746200 | 0.75 | ALDH1A1 (0.57) | NPC1ALDH1A1RAB9ADYRK1AGRM4 | |
| SCHEMBL22122037 | 0.74 | ALDH1A1 (0.49) | NPC1ALDH1A1RAB9AGRM4DDB1 | |
| SCHEMBL29535135 | 0.74 | PDE10A (0.41) | NPC1ALDH1A1RAB9AGRM4DDB1 | |
| SCHEMBL27753903 | 0.72 | NPC1 (0.46) | NPC1ALDH1A1RAB9ADYRK1AGRM4 | |
| SCHEMBL3050990 | 0.71 | PDGFRB (0.44) | NPC1ALDH1A1RAB9AGRM4DDB1 | |
| SCHEMBL26977642 | 0.70 | PDE2A (0.47) | NPC1ALDH1A1RAB9AGRM4ALOX5AP |
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-1066266-A1 | CYCLIN DEPENDENT KINASE INHIBITORS | CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) | 2001-01-10 | — | — | EP | disclosed |
| WO-1999050251-A2 | CYCLIN DEPENDENT KINASE INHIBITORS | CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) | 1999-10-07 | — | — | WO | disclosed |