Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.41 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | NAAA | Q02083 | 9/20 | 0.34 |
| ▸ | ASAH1 | Q13510 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL14740413 | 0.87 | SIGMAR1 (0.52) | SIGMAR1EPHX1CYP1A2NAAAASAH1 | |
| SCHEMBL24042735 | 0.87 | NFE2L2 (0.39) | SIGMAR1EPHX1CYP1A2SMN1; SMN2NFE2L2 | |
| SCHEMBL28329353 | 0.87 | NFE2L2 (0.38) | SIGMAR1EPHX1CYP1A2SMN1; SMN2NFE2L2 | |
| SCHEMBL29101112 | 0.85 | SIGMAR1 (0.56) | SIGMAR1EPHX1CYP1A2NAAAASAH1 | |
| SCHEMBL14740174 | 0.85 | SIGMAR1 (0.56) | SIGMAR1EPHX1CYP1A2NAAAASAH1 | |
| SCHEMBL21364011 | 0.83 | EPHX2 (0.36) | SIGMAR1EPHX1CYP1A2SMN1; SMN2 | |
| SCHEMBL21938959 | 0.82 | CYP1A2 (0.44) | SIGMAR1EPHX1CYP1A2SMN1; SMN2NFE2L2 | |
| SCHEMBL8986251 | 0.82 | NFE2L2 (0.42) | SIGMAR1EPHX1CYP1A2SMN1; SMN2NFE2L2 | |
| SCHEMBL23014885 | 0.80 | CYP1A2 (0.50) | SIGMAR1EPHX1CYP1A2NAAA | |
| SCHEMBL8743871 | 0.79 | CYP1A2 (0.46) | SIGMAR1EPHX1CYP1A2SMN1; SMN2NFE2L2 |
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 |