Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | HTT | P42858 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | USP2 | O75604 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | KMO | O15229 | 2/20 | 0.42 |
| ▸ | DKK1 | O94907 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | CDK8 | P49336 | 1/20 | 0.38 |
| ▸ | CDC7 | O00311 | 1/20 | 0.38 |
| ▸ | ROCK2 | O75116 | 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 | |
|---|---|---|---|---|
| SCHEMBL10080353 | 0.87 | KMO (0.54) | ALDH1A1HTTKDM4EHSD17B10GAA | |
| SCHEMBL23043624 | 0.74 | POLB (0.66) | ALDH1A1HTTKDM4EHSD17B10GAA | |
| SCHEMBL29978698 | 0.74 | POLB (0.66) | ALDH1A1HTTKDM4EHSD17B10GAA | |
| SCHEMBL3751504 | 0.74 | KMO (0.43) | ALDH1A1KDM4EHSD17B10MEN1KMT2A | |
| SCHEMBL12801571 | 0.74 | KMO (0.51) | ALDH1A1MEN1KMT2AMAPTKMO | |
| SCHEMBL12801515 | 0.72 | KMO (0.56) | KMO | |
| SCHEMBL786734 | 0.71 | OGA (0.51) | MAPT | |
| SCHEMBL30108222 | 0.71 | ALDH1A1 (0.73) | ALDH1A1HTTKDM4EHSD17B10GAA | |
| SCHEMBL435611 | 0.70 | KMO (0.52) | ALDH1A1KMOCDC7ROCK2MAP4K4 | |
| SCHEMBL12801634 | 0.70 | KMO (0.50) | ALDH1A1MEN1KMT2AMAPTKMO |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009032861-A1 | SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS | THE SCRIPPS RESEARCH INSTITUTE (US) | 2009-03-12 | — | — | WO | disclosed |