Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL244507 | 1.00 | CYP3A4 (0.51) | CYP3A4CYP2D6CYP2C9CYP2C19SIGMAR1 | |
| SCHEMBL244508 | 1.00 | CYP3A4 (0.51) | CYP3A4CYP2D6CYP2C9CYP2C19SIGMAR1 | |
| SCHEMBL244506 | 1.00 | CYP3A4 (0.51) | CYP3A4CYP2D6CYP2C9CYP2C19SIGMAR1 | |
| SCHEMBL245107 | 0.81 | — | — | |
| SCHEMBL246854 | 0.81 | — | — | |
| SCHEMBL244066 | 0.81 | — | — | |
| SCHEMBL245106 | 0.81 | — | — | |
| SCHEMBL246281 | 0.79 | — | — | |
| SCHEMBL246280 | 0.79 | — | — | |
| SCHEMBL246282 | 0.79 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1734948-A4 | TRI-SUBSTITUED 2-BENZHYDRYL-5-BENZLAMINO-TETRAHYDRO-PYRAN-4-OL AND 6-BENZHYDRYL-4-BENZYLAMINO-TETRAHYDRO-PYRAN-3-OL ANALOGUES, AND NOVEL 3,6-DISUBSTITUTED PYRAN DERIVATIVES | UNIV WAYNE STATE (US) | 2008-04-16 | — | — | EP | disclosed |
| EP-1734948-A1 | TRI-SUBSTITUED 2-BENZHYDRYL-5-BENZLAMINO-TETRAHYDRO-PYRAN-4-OL AND 6-BENZHYDRYL-4-BENZYLAMINO-TETRAHYDRO-PYRAN-3-OL ANALOGUES, AND NOVEL 3,6-DISUBSTITUTED PYRAN DERIVATIVES | WAYNE STATE UNIVERSITY (US) | 2006-12-27 | — | — | EP | disclosed |
| WO-2005105075-A1 | TRI-SUBSTITUED 2-BENZHYDRYL-5-BENZLAMINO-TETRAHYDRO-PYRAN-4-OL AND 6-BENZHYDRYL-4-BENZYLAMINO-TETRAHYDRO-PYRAN-3-OL ANALOGUES, AND NOVEL 3,6-DISUBSTITUTED PYRAN DERIVATIVES | WAYNE STATE UNIVERSITY (US) | 2005-11-10 | — | — | WO | disclosed |