Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB2 | P05107 | 3/20 | 0.54 |
| ▸ | ICAM1 | P05362 | 3/20 | 0.54 |
| ▸ | ITGAL | P20701 | 3/20 | 0.54 |
| ▸ | CA1 | P00915 | 3/20 | 0.48 |
| ▸ | CA2 | P00918 | 3/20 | 0.48 |
| ▸ | SLC6A5 | Q9Y345 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.46 |
| ▸ | SLC15A2 | Q16348 | 1/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.44 |
| ▸ | REN | P00797 | 2/20 | 0.44 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.43 |
| ▸ | MME | P08473 | 1/20 | 0.43 |
| ▸ | ECE1 | P42892 | 1/20 | 0.43 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.42 |
| ▸ | AGTR2 | P50052 | 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 | |
|---|---|---|---|---|
| SCHEMBL1133307 | 0.89 | ITGB2 (0.57) | ITGB2ICAM1ITGALCA1CA2 | |
| SCHEMBL1132649 | 0.89 | ITGB2 (0.57) | ITGB2ICAM1ITGALCA1CA2 | |
| SCHEMBL14028689 | 0.89 | ITGB2 (0.57) | ITGB2ICAM1ITGALCA1CA2 | |
| SCHEMBL28684251 | 0.88 | ITGB2 (0.56) | ITGB2ICAM1ITGALCA1CA2 | |
| SCHEMBL6806998 | 0.86 | ITGB2 (0.62) | ITGB2ICAM1ITGALCA1CA2 | |
| SCHEMBL1486141 | 0.81 | REN (0.49) | ITGB2ICAM1ITGALHRH3REN | |
| SCHEMBL18814494 | 0.81 | REN (0.49) | ITGB2ICAM1ITGALHRH3REN | |
| SCHEMBL28386295 | 0.80 | ITGB2 (0.60) | ITGB2ICAM1ITGALCA1CA2 | |
| SCHEMBL18878768 | 0.79 | REN (0.49) | ITGB2ICAM1ITGALCA1CA2 | |
| Hydrochloric Acid SCHEMBL27702031 | 0.79 | ITGB2 (0.60) | ITGB2ICAM1ITGALCA1CA2 |
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-4820691-A | HYPOTENSIVE AGENTS | E. R. SQUIBB & SONS, INC. (US) | 1989-04-11 | — | — | US | disclosed |
| EP-0296581-A2 | Amino acid 1,2-diketo derivatives as renin inhibitors | E.R. SQUIBB & SONS, INC. (US) | 1988-12-28 | — | — | EP | disclosed |