Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 3/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.47 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.47 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.47 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.47 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.47 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.47 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL31738884 | 0.98 | CYP2C19 (0.54) | CYP2C19CYP1A2CYP2C9TDP1CYP3A4 | |
| SCHEMBL147085 | 0.98 | CYP2C19 (0.54) | CYP2C19CYP1A2CYP2C9TDP1CYP3A4 | |
| Hydrogen Sulfide SCHEMBL28838423 | 0.96 | CYP2C19 (0.52) | CYP2C19CYP1A2CYP2C9TDP1CYP3A4 | |
| SCHEMBL7918863 | 0.96 | CYP2C19 (0.52) | CYP2C19CYP1A2CYP2C9TDP1CYP3A4 | |
| Methane SCHEMBL27919160 | 0.94 | CYP2C19 (0.50) | CYP2C19CYP1A2CYP2C9TDP1CYP3A4 | |
| Formaldehyde SCHEMBL27716206 | 0.92 | TDP1 (0.53) | CYP2C19CYP1A2CYP2C9TDP1CYP3A4 | |
| Dimethylamine SCHEMBL11571354 | 0.92 | CYP2C19 (0.50) | CYP2C19CYP1A2CYP2C9TDP1CYP3A4 | |
| SCHEMBL7624046 | 0.90 | SIGMAR1 (0.48) | CYP2C19CYP1A2CYP2C9TDP1CYP3A4 | |
| SCHEMBL659517 | 0.86 | CYP2C19 (0.60) | CYP2C19CYP1A2CYP2C9TDP1CYP3A4 | |
| SCHEMBL4667060 | 0.86 | CYP2C19 (0.60) | CYP2C19CYP1A2CYP2C9TDP1CYP3A4 |
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-6235067-B1 | LIQUID HYDROCARBON FUEL AND WATER SUPERCRITICAL MIXTURE EMITTER NOZZLES | MASSACHUSETTS INSTITUTE OF TECHNOLOGY | 2001-05-22 | — | — | US | disclosed |