Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTRB1 | P17538 | 2/20 | 0.53 |
| ▸ | LTA4H | P09960 | 2/20 | 0.47 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.47 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | CTSL | P07711 | 1/20 | 0.46 |
| ▸ | CTSK | P43235 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
| ▸ | MME | P08473 | 2/20 | 0.45 |
| ▸ | MMEL1 | Q495T6 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL7417837 | 1.00 | CTRB1 (0.53) | CTRB1LTA4HITGB3ITGA2BCYP3A4 | |
| SCHEMBL4073213 | 0.87 | CYP3A4 (0.61) | CTRB1CYP3A4MAPK1CTSLCTSK | |
| SCHEMBL4583554 | 0.87 | CYP3A4 (0.61) | CTRB1CYP3A4MAPK1CTSLCTSK | |
| SCHEMBL6157333 | 0.84 | CTRB1 (0.74) | CTRB1ITGB3ITGA2BCYP3A4CTSL | |
| SCHEMBL6157326 | 0.84 | CTRB1 (0.74) | CTRB1ITGB3ITGA2BCYP3A4CTSL | |
| SCHEMBL7440669 | 0.84 | CTRB1 (0.52) | CTRB1LTA4HCYP3A4MAPK1NPC1 | |
| SCHEMBL753199 | 0.84 | CTRB1 (0.52) | CTRB1LTA4HCYP3A4MAPK1NPC1 | |
| SCHEMBL753184 | 0.84 | CTRB1 (0.52) | CTRB1LTA4HCYP3A4MAPK1NPC1 | |
| SCHEMBL14654947 | 0.82 | NPC1 (0.63) | CTRB1KDM4ENPC1RAB9A | |
| SCHEMBL14636230 | 0.82 | NPC1 (0.63) | CTRB1KDM4ENPC1RAB9A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5414013-A | Enzyme inhibitors | E. R. SQUIBB & SONS, INC. (US) | 1995-05-09 | — | — | US | disclosed |
| US-5414017-A | Cardiovascular agents | E. R. SQUIBB & SONS, INC. (US) | 1995-05-09 | — | — | US | disclosed |
| US-5223516-A | Endopeptidase inhibitors | E. R. SQUIBB & SONS, INC. (US) | 1993-06-29 | — | — | US | disclosed |