Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.60 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.46 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.46 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.46 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.46 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.46 |
| ▸ | PGR | P06401 | 2/20 | 0.44 |
| ▸ | NOS3 | P29474 | 1/20 | 0.43 |
| ▸ | NOS1 | P29475 | 1/20 | 0.43 |
| ▸ | NOS2 | P35228 | 1/20 | 0.43 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 7/20 | 0.41 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.40 |
| ▸ | IMPDH1 | P20839 | 1/20 | 0.40 |
| ▸ | PLAU | P00749 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11550694 | 0.84 | CYP2A6 (0.60) | CYP2A6PGRNOS3NOS1NOS2 | |
| SCHEMBL29082332 | 0.78 | GPR35 (0.60) | CYP2A6GPR35CA1CA2 | |
| SCHEMBL20559975 | 0.78 | CYP2A6 (0.58) | CYP2A6CHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL6014129 | 0.78 | CYP2A6 (0.58) | CYP2A6CHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL8025307 | 0.78 | CYP2A6 (0.58) | CYP2A6CA1CA2 | |
| SCHEMBL14677379 | 0.78 | CYP2A6 (0.52) | CYP2A6CHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL3999399 | 0.78 | CYP2A6 (0.58) | CYP2A6CHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL18936170 | 0.78 | CYP2A6 (0.52) | CYP2A6CHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL28128673 | 0.78 | CYP2A6 (0.52) | CYP2A6CHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL28129144 | 0.78 | CYP2A6 (0.52) | CYP2A6CHRM2CHRM4CHRM5CHRM1 |
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-1685836-A2 | Antifungal activity of dicationic molecules | UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) | 2006-08-02 | — | — | EP | disclosed |
| EP-0973750-B1 | SUBSTITUTED BENZIMIDAZOLES AND THEIR USE FOR TREATING RETROVIRAL INFECTION | UNIV NORTH CAROLINA (US) | 2004-04-21 | — | — | EP | disclosed |
| US-6326395-B1 | AMIDINE OR AMIDE SUBSTITUTED FURAN DERIVATIVES | DUKE UNIVERSITY | 2001-12-04 | — | — | US | disclosed |
| EP-1143959-A2 | ANTIFUNGAL ACTIVITY OF DICATIONIC MOLECULES | UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) | 2001-10-17 | — | — | EP | disclosed |
| WO-2000015212-A2 | ANTIFUNGAL ACTIVITY OF DICATIONIC MOLECULES | THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) | 2000-03-23 | — | — | WO | disclosed |
| EP-0973750-A1 | SUBSTITUTED BENZIMIDAZOLES AND THEIR USE FOR TREATING RETROVIRAL INFECTION | The University of North Carolina at Chapel Hill (US) | 2000-01-26 | — | — | EP | disclosed |
| US-5935982-A | ADMINISTERING ARYLENEBIS((AMIDINO)-2-BENZIMIDAZOLE) DERIVATIVES TO TREAT HUMAN T-CELL LEUKEMIA/LYMPHOMA VIRUS | THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) | 1999-08-10 | — | — | US | disclosed |
| WO-1998038170-A1 | SUBSTITUTED BENZIMIDAZOLES AND THEIR USE FOR TREATING RETROVIRAL INFECTION | THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) | 1998-09-03 | — | — | WO | disclosed |