Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 9/20 | 0.53 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.52 |
| ▸ | MAOA | P21397 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.42 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.42 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.42 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.42 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 2/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | CA9 | Q16790 | 2/20 | 0.38 |
| ▸ | CA4 | P22748 | 1/20 | 0.38 |
| ▸ | CA6 | P23280 | 1/20 | 0.38 |
| ▸ | CA5A | P35218 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL14231884 | 1.00 | MAOB (0.53) | MAOBCYP2A6CYP1A2MAOATDP1 | |
| SCHEMBL14232042 | 1.00 | MAOB (0.53) | MAOBCYP2A6CYP1A2MAOATDP1 | |
| SCHEMBL14231881 | 0.87 | MAOB (0.67) | MAOBCYP2A6CYP1A2MAOATDP1 | |
| SCHEMBL14231743 | 0.83 | MAOB (0.71) | MAOBCYP2A6CYP1A2MAOAALDH1A1 | |
| SCHEMBL14231752 | 0.83 | MAOB (0.50) | MAOBCYP2A6CYP1A2MAOAALDH1A1 | |
| SCHEMBL14231893 | 0.81 | MAOB (0.48) | MAOBCYP2A6CYP1A2MAOATDP1 | |
| SCHEMBL14232434 | 0.79 | MAOB (0.42) | MAOBCYP1A2MAOATDP1ALDH1A1 | |
| SCHEMBL14232046 | 0.78 | CYP2A6 (0.45) | MAOBCYP2A6CYP1A2MAOATDP1 | |
| SCHEMBL4368477 | 0.78 | CYP1A2 (0.87) | CYP2A6CYP1A2TDP1ALDH1A1CA12 | |
| SCHEMBL6888140 | 0.78 | CYP1A2 (0.87) | CYP2A6CYP1A2TDP1ALDH1A1CA12 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012165612-A1 | ORGANIC SEMICONDUCTOR MATERIAL, AND ORGANIC ELECTRONICS DEVICE | 国立大学法人九州大学 (JP) | 2012-12-06 | — | — | WO | disclosed |