Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 3/20 | 0.50 |
| ▸ | NOS1 | P29475 | 3/20 | 0.50 |
| ▸ | NOS2 | P35228 | 3/20 | 0.50 |
| ▸ | ITGB3 | P05106 | 3/20 | 0.46 |
| ▸ | ITGA2B | P08514 | 3/20 | 0.46 |
| ▸ | ANPEP | P15144 | 1/20 | 0.45 |
| ▸ | ENPEP | Q07075 | 1/20 | 0.45 |
| ▸ | HPSE | Q9Y251 | 1/20 | 0.41 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.41 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.41 |
| ▸ | PARP1 | P09874 | 1/20 | 0.41 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.41 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.39 |
| ▸ | SELP | P16109 | 1/20 | 0.39 |
| ▸ | SELE | P16581 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | CASR | P41180 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | F10 | P00742 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1162624 | 1.00 | NOS3 (0.50) | NOS3NOS1NOS2ITGB3ITGA2B | |
| SCHEMBL289140 | 0.87 | ITGB3 (0.50) | NOS3NOS1NOS2ITGB3ITGA2B | |
| SCHEMBL27999753 | 0.87 | ITGB3 (0.50) | NOS3NOS1NOS2ITGB3ITGA2B | |
| SCHEMBL8082406 | 0.86 | NOS3 (0.47) | NOS3NOS1NOS2ITGB3ITGA2B | |
| SCHEMBL7260682 | 0.83 | NOS3 (0.70) | NOS3NOS1NOS2ITGB3ITGA2B | |
| SCHEMBL287831 | 0.83 | NOS3 (0.70) | NOS3NOS1NOS2ITGB3ITGA2B | |
| SCHEMBL29589136 | 0.83 | NOS3 (0.70) | NOS3NOS1NOS2ITGB3ITGA2B | |
| SCHEMBL288850 | 0.83 | NOS3 (0.70) | NOS3NOS1NOS2ITGB3ITGA2B | |
| SCHEMBL289154 | 0.83 | ITGB3 (0.45) | ITGB3ITGA2BANPEPENPEPSLC1A2 | |
| SCHEMBL27999726 | 0.83 | ITGB3 (0.45) | ITGB3ITGA2BANPEPENPEPSLC1A2 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0749418-B1 | L-N6 -(1-IMINOETHYL)LYSINE DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS | SEARLE & CO (US) | 2000-08-30 | — | — | EP | claimed |
| WO-1995024382-A1 | L-N6-(1-IMINOETHYL)LYSINE DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS | G.D. SEARLE & CO. (US) | 1995-09-14 | — | — | WO | claimed |
| CN-104284891-B | Conformationally constrained, fully synthetic macrocyclic compounds | 波利弗尔股份公司 | 2018-04-17 | — | — | CN | disclosed |
| CN-104284891-A | Conformationally constrained, fully synthetic macrocyclic compounds | POLYPHOR AG | 2015-01-14 | — | — | CN | disclosed |
| US-6143790-A | ENZYME INHIBITORS | G.D. SEARLE & CO. (US) | 2000-11-07 | — | — | US | disclosed |
| EP-0749418-B1 | L-N6 -(1-IMINOETHYL)LYSINE DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS | SEARLE & CO (US) | 2000-08-30 | — | — | EP | disclosed |
| EP-0749418-A1 | L-N6 -(1-IMINOETHYL)LYSINE DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS | G.D. SEARLE & CO. (US) | 1996-12-27 | — | — | EP | disclosed |
| WO-1995024382-A1 | L-N6-(1-IMINOETHYL)LYSINE DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS | G.D. SEARLE & CO. (US) | 1995-09-14 | — | — | WO | disclosed |