Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPBAR1 | Q8TDU6 | 3/20 | 0.46 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.46 |
| ▸ | SGMS2 | Q8NHU3 | 1/20 | 0.38 |
| ▸ | F10 | P00742 | 1/20 | 0.37 |
| ▸ | F7 | P08709 | 1/20 | 0.37 |
| ▸ | F3 | P13726 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | CACNA2D1 | P54289 | 3/20 | 0.36 |
| ▸ | NR2F2 | P24468 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.35 |
| ▸ | BDKRB2 | P30411 | 1/20 | 0.34 |
| ▸ | TNF | P01375 | 1/20 | 0.34 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3716494 | 0.72 | GPBAR1 (0.57) | GPBAR1KCNA3SGMS2RAB9ABDKRB2 | |
| SCHEMBL3717729 | 0.72 | HDAC6 (0.40) | GPBAR1KDM4EALDH1A1MAPT | |
| SCHEMBL5445170 | 0.71 | KCNA3 (0.65) | GPBAR1KCNA3ALDH1A1MAPTNR2F2 | |
| SCHEMBL31364101 | 0.71 | KCNA3 (0.65) | GPBAR1KCNA3ALDH1A1MAPTNR2F2 | |
| SCHEMBL13152509 | 0.70 | KCNA3 (0.56) | GPBAR1KCNA3KDM4ECACNA2D1NR2F2 | |
| SCHEMBL3721720 | 0.70 | GPBAR1 (0.54) | GPBAR1KCNA3SGMS2NR2F2RAB9A | |
| SCHEMBL3723982 | 0.68 | GPBAR1 (0.46) | GPBAR1KCNA3SGMS2CACNA2D1NR2F2 | |
| SCHEMBL3714728 | 0.67 | GPBAR1 (0.54) | GPBAR1KCNA3NR2F2RAB9ASCN9A | |
| SCHEMBL1545737 | 0.67 | KCNA3 (0.71) | GPBAR1KCNA3KDM4EALDH1A1MAPT | |
| SCHEMBL10361892 | 0.67 | KCNA3 (0.67) | GPBAR1KCNA3KDM4EALDH1A1MAPT |
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 3 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 |
| WO-2010117090-A1 | NOVEL ISOQUINOLINYLOXYMETHYL HETEROARYL DERIVATIVES | BANYU PHARMACEUTICAL CO.,LTD. (JP) | 2010-10-14 | — | — | WO | disclosed |