Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNA7 | P36544 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | LTA4H | P09960 | 3/20 | 0.36 |
| ▸ | PSMB1 | P20618 | 2/20 | 0.36 |
| ▸ | PSMB5 | P28074 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | DRD1 | P21728 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL12371271 | 0.84 | KDM4E (0.37) | CHRNA7LTA4HPSMB1PSMB5CYP3A4 | |
| SCHEMBL20284602 | 0.84 | TDP1 (0.45) | POLBCYP1A2CHRM2CHRM1KCNH2 | |
| SCHEMBL12371270 | 0.80 | MAPT (0.43) | CHRNA7LTA4HCYP3A4DRD1CYP1A2 | |
| SCHEMBL12371267 | 0.79 | LTA4H (0.33) | CHRNA7LTA4HCYP3A4DRD1CYP1A2 | |
| SCHEMBL9081026 | 0.78 | PSMB1 (0.42) | CHRNA7LTA4HPSMB1PSMB5CYP3A4 | |
| SCHEMBL16700633 | 0.77 | MEN1 (0.39) | CHRNA7POLBLTA4HPSMB1PSMB5 | |
| SCHEMBL10679633 | 0.77 | ALDH1A1 (0.40) | LTA4HPSMB1PSMB5TSHR | |
| SCHEMBL12371313 | 0.76 | HRH3 (0.35) | CHRNA7LTA4HPSMB1PSMB5PSMB2 | |
| SCHEMBL28882656 | 0.76 | PSMB1 (0.45) | CHRNA7LTA4HPSMB1PSMB5CYP3A4 | |
| SCHEMBL8805120 | 0.76 | PSMB1 (0.45) | CHRNA7LTA4HPSMB1PSMB5CYP3A4 |
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 |