Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 3/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.33 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | HTR1D | P28221 | 2/20 | 0.32 |
| ▸ | HTR1B | P28222 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL13259833 | 0.80 | CYP2C19 (0.53) | CYP2C19CYP2D6CYP1A2CYP2C9HIF1A | |
| SCHEMBL11305864 | 0.80 | POLB (0.43) | CYP2C19CYP2D6CYP1A2CYP2C9HIF1A | |
| SCHEMBL14702161 | 0.77 | CYP2C19 (0.46) | CYP2C19CYP2D6CYP1A2CYP2C9HIF1A | |
| SCHEMBL7751691 | 0.76 | CYP2C19 (0.47) | CYP2C19CYP2D6CYP1A2CYP2C9HIF1A | |
| SCHEMBL11480932 | 0.74 | GABRA1 (0.41) | CYP2C19CYP2D6CYP1A2CYP2C9HIF1A | |
| SCHEMBL5464370 | 0.74 | ALDH1A1 (0.45) | CYP2C19CYP2D6CYP1A2CYP2C9HIF1A | |
| SCHEMBL6846934 | 0.74 | GABRA1 (0.38) | CYP1A2GABRA1GABRB2POLBCYP3A4 | |
| SCHEMBL18800169 | 0.73 | HTR1D (0.34) | CYP2C19CYP2D6CYP1A2CYP2C9HTR1D | |
| SCHEMBL11302383 | 0.73 | CYP2C19 (0.35) | CYP2C19CYP2D6CYP1A2CYP2C9HIF1A | |
| SCHEMBL11305609 | 0.72 | ALDH1A1 (0.38) | CYP2C19CYP1A2GABRA1GABRB2TSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-4340757-A | CUPROUS HALIDE CATALYZED AMINATION | CHEVRON RESEARCH COMPANY (US) | 1982-07-20 | — | — | US | claimed |
| US-4340757-A | CUPROUS HALIDE CATALYZED AMINATION | CHEVRON RESEARCH COMPANY (US) | 1982-07-20 | — | — | US | disclosed |
| US-4340757-A | CUPROUS HALIDE CATALYZED AMINATION | CHEVRON RESEARCH COMPANY (US) | 1982-07-20 | — | — | US | disclosed |