Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | ATM | Q13315 | 1/20 | 0.55 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.47 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.47 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.47 |
| ▸ | LTA4H | P09960 | 2/20 | 0.46 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.45 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 4/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | MPO | P05164 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL28993487 | 0.98 | ALDH1A1 (0.54) | ALDH1A1CYP2D6ATMROCK1NPSR1 | |
| SCHEMBL27943923 | 0.82 | PDE3B (0.48) | ALDH1A1CYP2D6ATMPOLBPDE3B | |
| SCHEMBL30366498 | 0.81 | ALDH1A1 (0.65) | ALDH1A1CYP2D6ATMNPSR1POLB | |
| Ammonia Solution, Strong SCHEMBL26627788 | 0.81 | PDE3B (0.47) | ALDH1A1CYP2D6ATMPOLBPDE3B | |
| SCHEMBL2749244 | 0.80 | ROCK1 (0.42) | ROCK1TLR8TLR7 | |
| SCHEMBL11377589 | 0.78 | ALDH1A1 (0.49) | ALDH1A1CYP2D6ATMROCK1NPSR1 | |
| SCHEMBL1494107 | 0.78 | AURKA (0.48) | ROCK1POLBMPO | |
| SCHEMBL30742723 | 0.77 | DHFR (0.58) | ALDH1A1SMN1; SMN2 | |
| Methyl Alcohol SCHEMBL29176241 | 0.77 | L3MBTL1 (0.45) | ROCK1POLBTLR8TLR7 | |
| SCHEMBL28133306 | 0.76 | NPC1 (0.56) | ALDH1A1CYP2D6LTA4HLMNASMN1; SMN2 |
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 |