Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | ADORA1 | P30542 | 10/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 6/20 | 0.42 |
| ▸ | ACVR1B | P36896 | 1/20 | 0.39 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7465701 | 0.86 | ADORA1 (0.47) | CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL7535967 | 0.80 | MEN1 (0.48) | CYP1A2CYP3A4CYP2D6LMNAMEN1 | |
| SCHEMBL7468146 | 0.80 | DHFR (0.48) | ADORA1ADORA2AACVR1BTGFBR1DHFR | |
| SCHEMBL6824538 | 0.71 | KDM4E (0.50) | CYP1A2ALDH1A1LMNAMAPK1TDP1 | |
| SCHEMBL5450249 | 0.70 | ADORA1 (0.70) | ALDH1A1KMT2AADORA1ADORA2AALOX15 | |
| SCHEMBL7535607 | 0.69 | SYK (0.54) | CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL994454 | 0.69 | CYP1A2 (0.62) | CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL3722728 | 0.66 | IDO1 (0.53) | CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL7463419 | 0.66 | ADORA1 (0.59) | ADORA1ADORA2ADHFRCDK5CDK5R1 | |
| SCHEMBL29595684 | 0.66 | CYP3A4 (1.00) | CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0233461-B2 | 4,5,6-Substituted-2-pyrimidinamines | AMERICAN CYANAMID CO (US) | 2002-05-29 | — | — | EP | disclosed |