Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 3/20 | 0.55 |
| ▸ | MAOB | P27338 | 3/20 | 0.55 |
| ▸ | CA12 | O43570 | 2/20 | 0.46 |
| ▸ | CA1 | P00915 | 2/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.46 |
| ▸ | CA7 | P43166 | 2/20 | 0.46 |
| ▸ | CA9 | Q16790 | 2/20 | 0.46 |
| ▸ | KDR | P35968 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | THPO | P40225 | 1/20 | 0.38 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.38 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | SLC1A5 | Q15758 | 1/20 | 0.35 |
| ▸ | FFAR1 | O14842 | 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 | |
|---|---|---|---|---|
| SCHEMBL21646093 | 0.76 | GAPDH (0.50) | MAOAMAOBCA12CA1CA2 | |
| SCHEMBL28345910 | 0.72 | CA12 (0.64) | CA12CA1CA2CA7CA9 | |
| SCHEMBL6701737 | 0.71 | MAOA (1.00) | MAOAMAOBCYP1A2CYP2C19ERBB2 | |
| SCHEMBL6271869 | 0.71 | MAOA (0.49) | MAOAMAOBCA12CA1CA2 | |
| SCHEMBL1276464 | 0.67 | CYP1A2 (0.56) | CA12CA1CA2CA7CA9 | |
| SCHEMBL20087538 | 0.67 | MAOA (0.57) | MAOAMAOBCYP3A4ERBB2HSD17B3 | |
| SCHEMBL24133220 | 0.67 | CYP1A2 (0.47) | CA12CA1CA2CA7CA9 | |
| SCHEMBL10833567 | 0.66 | CA12 (0.61) | MAOBCA12CA1CA2CA7 | |
| SCHEMBL5548420 | 0.65 | CYP1A2 (0.48) | CA12CA1CA2CA7CA9 | |
| SCHEMBL3363900 | 0.65 | MAOA (0.55) | MAOAMAOBCA1CA2CA9 |
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-2005115145-A2 | QUINONE SUBSTITUTED QUINAZOLINE AND QUINOLINE KINASE INHIBITORS | WYETH (US) | 2005-12-08 | — | — | WO | claimed |