Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | NOS3 | P29474 | 1/20 | 0.32 |
| ▸ | NOS1 | P29475 | 1/20 | 0.32 |
| ▸ | NOS2 | P35228 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | BLM | P54132 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL158019 | 0.83 | — | — | |
| Bromide SCHEMBL11876625 | 0.80 | — | — | |
| SCHEMBL10383528 | 0.72 | — | — | |
| SCHEMBL1980569 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL10728262 | 0.69 | — | — | |
| Trifluoroacetic Acid SCHEMBL5563953 | 0.68 | NOS1 (0.38) | NOS1NOS2KMT2A | |
| Bromide SCHEMBL10728305 | 0.68 | — | — | |
| Hydrochloric Acid SCHEMBL465749 | 0.68 | — | — | |
| Hydrochloric Acid SCHEMBL354889 | 0.68 | — | — | |
| SCHEMBL11390628 | 0.67 | — | — |
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-5821267-A | MODULATING THE INDUCIBLE ISOFORM OVER THE CONSTITUTIVE; HYPERTENSIVE, ANTIARTHRITIC AND DIABETIC AGENTS; THERAPY WITH CYTOKINES; TOXIC AND SEPTIC SHOCK | G.D. SEARLE & CO. (US) | 1998-10-13 | — | — | US | claimed |
| EP-0724435-A1 | AMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS | G.D. SEARLE & CO. (US) | 1996-08-07 | — | — | EP | claimed |
| WO-1995011014-A1 | AMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS | G.D. SEARLE & CO. (US) | 1995-04-27 | — | — | WO | claimed |