Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | HCRTR1 | O43613 | 5/20 | 0.34 |
| ▸ | HCRTR2 | O43614 | 5/20 | 0.34 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.34 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.34 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.34 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.33 |
| ▸ | CYSLTR1 | Q9Y271 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9244570 | 1.00 | CYP1A2 (0.35) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL8715857 | 0.90 | ALOX5AP (0.38) | ALOX5ALOX5APCYSLTR1 | |
| SCHEMBL9244554 | 0.90 | ALOX5AP (0.38) | ALOX5ALOX5APCYSLTR1 | |
| SCHEMBL9243685 | 0.82 | CALCA (0.35) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9245399 | 0.82 | REN (0.34) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL8715359 | 0.81 | SLC6A2 (0.39) | CYP1A2MCHR1 | |
| SCHEMBL8714510 | 0.80 | PDE10A (0.39) | HCRTR1HCRTR2PDE10A | |
| SCHEMBL9250617 | 0.79 | KCNA5 (0.43) | — | |
| SCHEMBL8714654 | 0.79 | CYP1A2 (0.34) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL8714661 | 0.78 | PDE10A (0.36) | HCRTR1HCRTR2PDE10AMCHR1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5719291-A | FUNGICIDE | HOFFMANN-LA ROCHE INC. (US) | 1998-02-17 | — | — | US | disclosed |