Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LCK | P06239 | 7/20 | 0.60 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | GRIN2B | Q13224 | 4/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.44 |
| ▸ | MAP3K14 | Q99558 | 1/20 | 0.43 |
| ▸ | IDH1 | O75874 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | FAAH | O00519 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7571215 | 0.84 | LCK (0.60) | LCKSMN1; SMN2CYP2C19GRIN2BNPC1 | |
| SCHEMBL7505588 | 0.81 | LCK (0.62) | LCKSMN1; SMN2GRIN2BNPC1RAB9A | |
| SCHEMBL7505777 | 0.80 | LCK (0.82) | LCKGRIN2BCYP2D6CYP2C9 | |
| SCHEMBL7506273 | 0.78 | LCK (0.67) | LCKMKNK2 | |
| SCHEMBL7502002 | 0.78 | LCK (0.66) | LCKMKNK2IDH1 | |
| SCHEMBL7508722 | 0.77 | LCK (0.91) | LCKGRIN2BCYP2D6CYP2C9 | |
| SCHEMBL4760522 | 0.75 | SMN1; SMN2 (0.74) | SMN1; SMN2CYP2C19GRIN2BNPC1RAB9A | |
| SCHEMBL7984542 | 0.75 | LCK (1.00) | LCKIDH1 | |
| SCHEMBL7504210 | 0.74 | LCK (1.00) | LCKGRIN2BMKNK2 | |
| SCHEMBL7500544 | 0.73 | LCK (0.85) | LCKGRIN2BMKNK2 |
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 |
|---|---|---|---|---|---|---|---|
| US-6329380-B1 | PYRIMIDINE BENZIMIDIZAZOLE, PYRIMIDINEIMIDAZOLE OR PYRIDINE IMIDAZOLE COMPOUNDS FOR ANTICANCER AGENTS OR ATHEROSCLEROSIS | MERCK & CO., INC. | 2001-12-11 | — | — | US | disclosed |