Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 | P35228 | 7/20 | 0.48 |
| ▸ | NOS1 | P29475 | 6/20 | 0.48 |
| ▸ | NOS3 | P29474 | 4/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | BLM | P54132 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | DDAH1 | O94760 | 6/20 | 0.44 |
| ▸ | OTC | P00480 | 1/20 | 0.41 |
| ▸ | GSR | P00390 | 1/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | APEX1 | P27695 | 1/20 | 0.41 |
| ▸ | THPO | P40225 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7224528 | 1.00 | NOS2 (0.48) | NOS2NOS1NOS3CYP1A2TSHR | |
| SCHEMBL7226879 | 0.90 | NOS2 (0.49) | NOS2NOS1NOS3CYP1A2TSHR | |
| SCHEMBL7911885 | 0.90 | NOS2 (0.49) | NOS2NOS1NOS3CYP1A2TSHR | |
| SCHEMBL7911329 | 0.86 | NOS2 (0.46) | NOS2NOS1NOS3CYP1A2TSHR | |
| SCHEMBL7226863 | 0.86 | NOS2 (0.46) | NOS2NOS1NOS3CYP1A2TSHR | |
| SCHEMBL7908719 | 0.85 | NOS2 (0.46) | NOS2NOS1NOS3CYP1A2TSHR | |
| SCHEMBL7232942 | 0.85 | NOS2 (0.46) | NOS2NOS1NOS3CYP1A2TSHR | |
| SCHEMBL7908800 | 0.81 | TNF (0.41) | NOS2NOS1NOS3CYP1A2TSHR | |
| SCHEMBL7225511 | 0.81 | TNF (0.41) | NOS2NOS1NOS3CYP1A2TSHR | |
| SCHEMBL7915399 | 0.80 | NOS2 (0.50) | NOS2NOS1NOS3CYP1A2TSHR |
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-6207708-B1 | FOR THERAPY AND PROPHYLAXIS OF AUTOIMMUNE AND/OR INFLAMMATORY CONDITIONS AFFECTING THE JOINTS SUCH AS ARTHRITIS, AND INFLAMMATORY BOWEL DISEASE, CARDIVASCULAR ISCHEMIA, DIABETES, CONGESTIVE HEART FAILURE, MYOCARDITIS, ATHEROSCLEROSIS, | G. D. SEARLE & COMPANY | 2001-03-27 | — | — | US | claimed |
| EP-0885188-B1 | HYDROXYAMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS | SEARLE & CO (US) | 2000-09-27 | — | — | EP | claimed |
| WO-1997032844-A9 | HYDROXYAMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS | — | 1997-12-24 | — | — | WO | claimed |