Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM4 | Q14833 | 1/20 | 0.46 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.42 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | WRN | Q14191 | 1/20 | 0.39 |
| ▸ | TRPV4 | Q9HBA0 | 2/20 | 0.38 |
| ▸ | PGR | P06401 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
| ▸ | AR | P10275 | 2/20 | 0.35 |
| ▸ | ACLY | P53396 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | KHK | P50053 | 1/20 | 0.33 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.33 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | EGFR | P00533 | 1/20 | 0.33 |
| ▸ | AKT1 | P31749 | 1/20 | 0.33 |
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 SCHEMBL3829461 | 0.98 | GRM4 (0.44) | GRM4ABCG2BLMWRNTRPV4 | |
| SCHEMBL897882 | 0.98 | GRM4 (0.47) | GRM4ABCG2BLMWRNTRPV4 | |
| Hydrochloric Acid SCHEMBL1765566 | 0.96 | GRM4 (0.46) | GRM4ABCG2BLMWRNTRPV4 | |
| Hydrochloric Acid SCHEMBL3829463 | 0.94 | GRM4 (0.48) | GRM4ABCG2BLMWRNTRPV4 | |
| Hydrochloric Acid SCHEMBL7475755 | 0.94 | GRM4 (0.48) | GRM4ABCG2BLMWRNTRPV4 | |
| SCHEMBL3829465 | 0.91 | GRM4 (0.46) | GRM4ABCG2BLMWRNTRPV4 | |
| SCHEMBL3623834 | 0.82 | TRPV4 (0.52) | TRPV4PGRIDO1KCNQ3KCNQ2 | |
| Hydrochloric Acid SCHEMBL5057770 | 0.81 | TRPV4 (0.50) | TRPV4PGRIDO1KCNQ3KCNQ2 | |
| SCHEMBL28296270 | 0.81 | TRPV4 (0.50) | TRPV4PGRIDO1KCNQ3KCNQ2 | |
| SCHEMBL3173181 | 0.80 | GRM4 (0.48) | GRM4ABCG2BLMWRNTRPV4 |
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 |
|---|---|---|---|---|---|---|---|
| US-6548512-B1 | Pyrazole derivatives such as 1-(3-amidinophenyl)-3-methyl-2-((5-(2'-aminosulfonylphenyl-1-yl)pyrimidin-2 -yl)aminocarbonyl)pyrazole; treating thromboembolic disorders | BRISTOL-MYERS SQUIBB PHARMA COMPANY | 2003-04-15 | — | — | US | disclosed |
| US-6020357-A | CARDIOVASCULAR DISORDERS; ANTCOAGULANTS | DUPONT PHARMACEUTICALS COMPANY (US) | 2000-02-01 | — | — | US | disclosed |