Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPBAR1 | Q8TDU6 | 2/20 | 0.46 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.46 |
| ▸ | NR3C1 | P04150 | 2/20 | 0.42 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.39 |
| ▸ | NR2F2 | P24468 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SGMS2 | Q8NHU3 | 3/20 | 0.38 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.37 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.37 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.37 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.37 |
| ▸ | CNR2 | P34972 | 1/20 | 0.37 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3723393 | 0.83 | GPBAR1 (0.46) | GPBAR1KCNA3NR3C1NR2F2RAB9A | |
| SCHEMBL3716494 | 0.80 | GPBAR1 (0.57) | GPBAR1KCNA3MCL1RAB9ASGMS2 | |
| SCHEMBL13152509 | 0.79 | KCNA3 (0.56) | GPBAR1KCNA3MCL1NR2F2RAB9A | |
| SCHEMBL3713000 | 0.77 | GPBAR1 (0.45) | GPBAR1KCNA3NR3C1NR2F2RAB9A | |
| SCHEMBL3715454 | 0.76 | KCNA3 (0.48) | GPBAR1KCNA3NR3C1NR2F2RAB9A | |
| SCHEMBL13152511 | 0.75 | GPBAR1 (0.43) | GPBAR1KCNA3NR3C1NR2F2RAB9A | |
| SCHEMBL31364101 | 0.70 | KCNA3 (0.65) | GPBAR1KCNA3NR2F2RAB9A | |
| SCHEMBL5445170 | 0.70 | KCNA3 (0.65) | GPBAR1KCNA3NR2F2RAB9A | |
| SCHEMBL3721720 | 0.69 | GPBAR1 (0.54) | GPBAR1KCNA3NR3C1NR2F2RAB9A | |
| SCHEMBL11144866 | 0.68 | KCNA3 (0.61) | KCNA3NR3C1NR2F2RAB9ACACNA2D1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010117090-A1 | NOVEL ISOQUINOLINYLOXYMETHYL HETEROARYL DERIVATIVES | BANYU PHARMACEUTICAL CO.,LTD. (JP) | 2010-10-14 | — | — | WO | claimed |
| WO-2010117090-A1 | NOVEL ISOQUINOLINYLOXYMETHYL HETEROARYL DERIVATIVES | BANYU PHARMACEUTICAL CO.,LTD. (JP) | 2010-10-14 | — | — | WO | disclosed |