Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 4/20 | 0.40 |
| ▸ | CA1 | P00915 | 4/20 | 0.40 |
| ▸ | CA2 | P00918 | 4/20 | 0.40 |
| ▸ | CA4 | P22748 | 4/20 | 0.40 |
| ▸ | CA9 | Q16790 | 4/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL4148091 | 0.86 | — | — | |
| SCHEMBL1830737 | 0.84 | ALDH1A1 (0.37) | CA12CA1CA2CA4CA9 | |
| SCHEMBL4731008 | 0.83 | CA12 (0.48) | CA12CA1CA2CA4CA9 | |
| SCHEMBL1041500 | 0.78 | — | — | |
| SCHEMBL1220763 | 0.77 | CA12 (0.48) | CA12CA1CA2CA4CA9 | |
| SCHEMBL3990507 | 0.76 | — | — | |
| SCHEMBL3639076 | 0.76 | TSHR (0.43) | CA12CA1CA2CA4CA9 | |
| SCHEMBL18752956 | 0.76 | TSHR (0.43) | CA12CA1CA2CA4CA9 | |
| SCHEMBL25184217 | 0.75 | CA12 (0.50) | CA12CA1CA2CA4CA9 | |
| SCHEMBL8957343 | 0.75 | CA12 (0.50) | CA12CA1CA2CA4CA9 |
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 |
|---|---|---|---|---|---|---|---|
| US-5716971-A | FOR TREATMENT OF ANGINA PECTORIS AND HYPERTENSION | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1998-02-10 | — | — | US | disclosed |
| EP-0623597-B1 | Pyridine derivatives, with potassium channel opening activity | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1997-10-22 | — | — | EP | disclosed |
| EP-0623597-A1 | Pyridine derivatives, with potassium channel opening activity | Takeda Chemical Industries, Ltd. (JP) | 1994-11-09 | — | — | EP | disclosed |