Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPBAR1 | Q8TDU6 | 2/20 | 0.62 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.37 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.36 |
| ▸ | P2RX7 | Q99572 | 3/20 | 0.35 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.33 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.33 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.32 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.32 |
| ▸ | DAO | P14920 | 1/20 | 0.32 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.32 |
| ▸ | CCR2 | P41597 | 1/20 | 0.32 |
| ▸ | ROCK1 | Q13464 | 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 | |
|---|---|---|---|---|
| SCHEMBL3793533 | 0.83 | GPBAR1 (0.88) | GPBAR1AOC3P2RX7IDO1CYP17A1 | |
| SCHEMBL15426194 | 0.70 | GPBAR1 (0.45) | GPBAR1IDO1CYP19A1CYP11B1CYP11B2 | |
| SCHEMBL31258918 | 0.66 | PDE10A (0.41) | GPBAR1PDE10ACYP1A2 | |
| SCHEMBL3716494 | 0.62 | GPBAR1 (0.57) | GPBAR1CYP19A1CYP11B1CYP11B2 | |
| SCHEMBL11270913 | 0.61 | CYP3A4 (0.55) | PDE10ACYP1A2DAOROCK2CCR2 | |
| SCHEMBL6114531 | 0.61 | KDM4E (0.50) | PDE10ACYP1A2TRPV1DAOROCK2 | |
| SCHEMBL1830568 | 0.61 | KDM4E (0.55) | PDE10ACYP1A2TRPV1DAO | |
| SCHEMBL27407502 | 0.61 | CYP2D6 (0.50) | PDE10ACYP1A2DAOROCK2ROCK1 | |
| SCHEMBL6965122 | 0.61 | CYP3A4 (0.50) | PDE10ACYP1A2TRPV1DAO | |
| SCHEMBL3933037 | 0.60 | CYP3A4 (0.53) | PDE10ACYP1A2DAOROCK2ROCK1 |
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-2010117090-A1 | NOVEL ISOQUINOLINYLOXYMETHYL HETEROARYL DERIVATIVES | BANYU PHARMACEUTICAL CO.,LTD. (JP) | 2010-10-14 | — | — | WO | disclosed |