Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NCF1 | P14598 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | HTR1A | P08908 | 1/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.37 |
| ▸ | DRD1 | P21728 | 1/20 | 0.37 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.37 |
| ▸ | DRD3 | P35462 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL22859167 | 0.95 | NCF1 (0.54) | NCF1CYP2D6CYP1A2HRH3CHRM2 | |
| SCHEMBL25565871 | 0.95 | NCF1 (0.54) | NCF1CYP2D6CYP1A2HRH3CHRM2 | |
| SCHEMBL25566048 | 0.95 | NCF1 (0.54) | NCF1CYP2D6CYP1A2HRH3CHRM2 | |
| SCHEMBL19892365 | 0.88 | NCF1 (0.43) | NCF1CYP2D6CYP1A2HRH3CHRM2 | |
| SCHEMBL27267695 | 0.87 | NCF1 (0.52) | NCF1CYP2D6CYP1A2HRH3CHRM2 | |
| SCHEMBL18636207 | 0.86 | NCF1 (0.46) | NCF1CYP2D6CYP1A2HRH3CHRM2 | |
| SCHEMBL757866 | 0.85 | NCF1 (0.62) | NCF1CYP2D6CYP1A2HRH3HRH4 | |
| SCHEMBL25565872 | 0.84 | GNAO1 (0.41) | NCF1CYP2D6CYP1A2HRH3LMNA | |
| SCHEMBL14262196 | 0.82 | NCF1 (0.39) | NCF1CYP2D6CYP1A2HRH3CHRM2 | |
| SCHEMBL19442433 | 0.81 | SLC6A1 (0.41) | NCF1CYP2D6CYP1A2HRH3KCNH2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110202328-A1 | System for the determination of selective absorbent molecules through predictive correlations | EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) | 2011-08-18 | — | — | US | disclosed |
| US-20110202328-A1 | System for the determination of selective absorbent molecules through predictive correlations | EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) | 2011-08-18 | — | — | US | disclosed |