Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 1/20 | 0.41 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | NQO1 | P15559 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.35 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | HRH1 | P35367 | 1/20 | 0.33 |
| ▸ | DRD3 | P35462 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3289296 | 0.83 | GABRA1 (0.44) | GABRA1GABRB2CYP2C9CYP1A2CYP3A4 | |
| SCHEMBL10632399 | 0.82 | GABRA1 (0.42) | GABRA1GABRB2CYP2C9CYP1A2CYP3A4 | |
| SCHEMBL28138685 | 0.82 | TYR (0.42) | GABRA1GABRB2CYP3A4ALOX15TP53 | |
| SCHEMBL11357143 | 0.79 | GABRA1 (0.41) | GABRA1GABRB2CYP2C9CYP1A2CYP3A4 | |
| SCHEMBL11355106 | 0.79 | GABRA1 (0.41) | GABRA1GABRB2CYP2C9CYP1A2CYP3A4 | |
| SCHEMBL11345628 | 0.79 | GABRA1 (0.41) | GABRA1GABRB2CYP2C9CYP1A2CYP3A4 | |
| SCHEMBL14461952 | 0.78 | GABRA1 (0.48) | GABRA1GABRB2CYP2C9CYP1A2CYP3A4 | |
| SCHEMBL7202914 | 0.77 | ESR1 (0.43) | CYP2C9NQO1ALOX15TP53CYP2D6 | |
| SCHEMBL31337454 | 0.76 | GABRA1 (0.46) | GABRA1GABRB2CYP2C9CYP1A2CYP3A4 | |
| SCHEMBL3286364 | 0.76 | GABRA1 (0.46) | GABRA1GABRB2CYP2C9CYP1A2CYP3A4 |
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-6114487-A | COATING AGENT, MOLDING MATERIAL, IMPROVED MOLD RELEASE | DOW CORNING TORAY SILICONE CO., LTD. (JP) | 2000-09-05 | — | — | US | disclosed |