Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6972299 | 0.77 | TP53 (0.38) | CYP2D6NISCHTP53RAB9A | |
| SCHEMBL6964703 | 0.75 | RAB9A (0.36) | CYP2D6TP53RAB9A | |
| SCHEMBL6980426 | 0.73 | ALOX15 (0.39) | — | |
| Trifluoroacetic Acid SCHEMBL6979070 | 0.71 | TP53 (0.36) | CYP2D6TP53RAB9A | |
| SCHEMBL6969171 | 0.69 | CYP2D6 (0.40) | CYP2D6NISCHTP53RAB9A | |
| SCHEMBL6969922 | 0.67 | CYP2D6 (0.43) | CYP2D6NISCHTP53RAB9A | |
| SCHEMBL6972842 | 0.66 | CYP2D6 (0.46) | CYP2D6TP53RAB9A | |
| SCHEMBL19935934 | 0.60 | CYP2D6 (0.59) | CYP2D6NISCHTP53RAB9A | |
| SCHEMBL7622398 | 0.58 | ALDH1A1 (0.34) | — | |
| SCHEMBL7177625 | 0.57 | ALDH1A1 (0.30) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0821674-B1 | CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS | SEARLE & CO (US) | 2003-08-06 | — | — | EP | claimed |
| US-6011028-A | Cyclic amidino agents useful as nitric oxide synthase inhibitors | G.D. SEARLE & CO. (US) | 2000-01-04 | — | — | US | claimed |
| WO-1996033175-A1 | CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS | G.D. SEARLE & CO. (US) | 1996-10-24 | — | — | WO | claimed |
| EP-0821674-B1 | CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS | SEARLE & CO (US) | 2003-08-06 | — | — | EP | disclosed |
| US-6011028-A | Cyclic amidino agents useful as nitric oxide synthase inhibitors | G.D. SEARLE & CO. (US) | 2000-01-04 | — | — | US | disclosed |
| WO-1996033175-A1 | CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS | G.D. SEARLE & CO. (US) | 1996-10-24 | — | — | WO | disclosed |