Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.45 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.44 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.43 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL6977862 | 0.78 | TAAR1 (0.45) | TAAR1 | |
| SCHEMBL6975454 | 0.77 | TAAR1 (0.44) | TAAR1 | |
| SCHEMBL6975458 | 0.77 | TAAR1 (0.44) | TAAR1 | |
| SCHEMBL6978890 | 0.76 | NOS1 (0.37) | — | |
| SCHEMBL6975534 | 0.74 | NOS3 (0.55) | TAAR1SIGMAR1 | |
| SCHEMBL29966756 | 0.74 | EED (0.56) | ALDH1A1HRH3TAAR1SIGMAR1CHRM2 | |
| SCHEMBL6975400 | 0.74 | TAAR1 (0.46) | TAAR1SIGMAR1 | |
| SCHEMBL6977894 | 0.73 | ALDH1A1 (0.39) | ALDH1A1HRH3TAAR1 | |
| SCHEMBL4809381 | 0.73 | SLC18A2 (0.65) | HRH3SIGMAR1 | |
| SCHEMBL6973607 | 0.72 | ALDH1A1 (0.46) | ALDH1A1HRH3TAAR1SIGMAR1CHRM2 |
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 | disclosed |
| US-6043261-A | TREATMENT OF INFLAMMATORY CONDITIONS AFFECTING THE JOINTS, FOR EXAMPLE ARTHRITIS, INFLAMMATORY BOWEL DISEASE, CARDIOVASCULAR ISCHEMIA, DIABETES, HYPERALGESIA, CEREBRAL ISCHEMIA, THROMBOTIC STROKE, GLOBAL ISCHEMIA, NERVOUS SYSTEM DISORDERS | G. D. SEARLE & CO. (US) | 2000-03-28 | — | — | US | disclosed |
| US-6011028-A | Cyclic amidino agents useful as nitric oxide synthase inhibitors | G.D. SEARLE & CO. (US) | 2000-01-04 | — | — | US | disclosed |
| US-5883251-A | ENZYME INHIBITORS | G. D. SEARLE & CO. (US) | 1999-03-16 | — | — | US | disclosed |
| EP-0821674-A1 | CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS | G.D. SEARLE & CO. (US) | 1998-02-04 | — | — | EP | disclosed |
| WO-1996033175-A1 | CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS | G.D. SEARLE & CO. (US) | 1996-10-24 | — | — | WO | disclosed |