Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.43 |
| ▸ | CHRNA5 | P30532 | 1/20 | 0.43 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.43 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL1371554 | 0.95 | CYP1A2 (0.57) | CYP1A2CHRNB2CHRNA5CHRNA7CHRNA4 | |
| SCHEMBL23844550 | 0.95 | CYP1A2 (0.57) | CYP1A2CHRNB2CHRNA5CHRNA7CHRNA4 | |
| SCHEMBL9550257 | 0.92 | CYP1A2 (0.59) | CYP1A2 | |
| SCHEMBL18546636 | 0.84 | CYP1A2 (0.42) | CYP1A2CHRNB2CHRNA5CHRNA7CHRNA4 | |
| SCHEMBL1371551 | 0.83 | CYP1A2 (0.47) | CYP1A2CHRNB2CHRNA5CHRNA7CHRNA4 | |
| SCHEMBL23101873 | 0.82 | CYP1A2 (0.41) | CYP1A2CHRNB2CHRNA5CHRNA7CHRNA4 | |
| SCHEMBL23011833 | 0.82 | CYP1A2 (0.46) | CYP1A2ALDH1A1 | |
| SCHEMBL294017 | 0.81 | — | — | |
| SCHEMBL10206077 | 0.81 | — | — | |
| SCHEMBL8325168 | 0.81 | — | — |
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 |