Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 5/20 | 0.46 |
| ▸ | CA7 | P43166 | 5/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 5/20 | 0.46 |
| ▸ | CA1 | P00915 | 4/20 | 0.46 |
| ▸ | CA2 | P00918 | 4/20 | 0.46 |
| ▸ | CA9 | Q16790 | 4/20 | 0.46 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.43 |
| ▸ | BDKRB1 | P46663 | 1/20 | 0.40 |
| ▸ | TRPV1 | Q8NER1 | 5/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.38 |
| ▸ | RELA | Q04206 | 1/20 | 0.38 |
| ▸ | PDE4A | P27815 | 1/20 | 0.38 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.38 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.38 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.38 |
| ▸ | KDM1A | O60341 | 1/20 | 0.38 |
| ▸ | NPY1R | P25929 | 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 | |
|---|---|---|---|---|
| SCHEMBL8184216 | 1.00 | CA12 (0.46) | CA12CA7CA14CA1CA2 | |
| SCHEMBL31056297 | 1.00 | CA12 (0.46) | CA12CA7CA14CA1CA2 | |
| SCHEMBL12570114 | 1.00 | CA12 (0.46) | CA12CA7CA14CA1CA2 | |
| SCHEMBL4872166 | 0.90 | NR1H2 (0.43) | CA12CA7CA14CA1CA2 | |
| SCHEMBL24817021 | 0.86 | TRPV1 (0.47) | CA12CA7CA14CA1CA2 | |
| SCHEMBL31303024 | 0.86 | TRPV1 (0.47) | CA12CA7CA14CA1CA2 | |
| SCHEMBL31302986 | 0.86 | TRPV1 (0.47) | CA12CA7CA14CA1CA2 | |
| SCHEMBL31303000 | 0.86 | TRPV1 (0.47) | CA12CA7CA14CA1CA2 | |
| SCHEMBL8185532 | 0.86 | TRPV1 (0.47) | CA12CA7CA14CA1CA2 | |
| SCHEMBL3304298 | 0.86 | CA1 (0.44) | CA12CA7CA14CA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5527811-A | CALCIUM- AND SUBSTANCE P RECEPTOR-ANTAGONIST ACTIVITY | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1996-06-18 | — | — | US | disclosed |
| EP-0634402-A1 | Isochinolinone derivatives, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1995-01-18 | — | — | EP | disclosed |