Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.71 |
| ▸ | CA2 | P00918 | 2/20 | 0.71 |
| ▸ | CA9 | Q16790 | 2/20 | 0.71 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.71 |
| ▸ | TSHR | P16473 | 3/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.61 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.57 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.57 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.57 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.57 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.57 |
| ▸ | MAPT | P10636 | 3/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | THRB | P10828 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL7353072 | 0.91 | TSHR (0.61) | CA1CA2CA9CA14TSHR | |
| SCHEMBL7344427 | 0.87 | CA1 (0.54) | CA1CA2CA9CA14TSHR | |
| SCHEMBL7345342 | 0.85 | ALDH1A1 (0.67) | CA1CA2CA9CA14TSHR | |
| SCHEMBL7351778 | 0.84 | CA1 (0.77) | CA1CA2CA9CA14TSHR | |
| SCHEMBL7343874 | 0.83 | HDAC1 (0.67) | CA1CA2CA9CA14ALDH1A1 | |
| SCHEMBL4865371 | 0.82 | MAPT (0.58) | ALDH1A1HSD17B10SMN1; SMN2MAPTLMNA | |
| SCHEMBL7352388 | 0.80 | ALDH1A1 (0.69) | CA1CA2CA9CA14TSHR | |
| SCHEMBL6970387 | 0.79 | BRD4 (0.52) | CA1CA2CA9CA14ALDH1A1 | |
| SCHEMBL30788288 | 0.77 | CA1 (0.70) | CA1CA2CA9CA14TSHR | |
| SCHEMBL27181151 | 0.77 | CA1 (0.70) | CA1CA2CA9CA14TSHR |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5985869-A | USEFUL AS VASODILATORS, HYPOTENSIVE AGENTS, WATER DIURETICS, PLATELET AGGLUTINATION INHIBITORS | OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) | 1999-11-16 | — | — | US | disclosed |
| US-5753677-A | Benzoheterocyclic compounds | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1998-05-19 | — | — | US | disclosed |
| US-5559230-A | VASOPRESSIN ANTAGONISTS, QUINOLINES, BENZAZEPINES, VASODILATION, HYPOTENSIVE AGENTS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1996-09-24 | — | — | US | disclosed |
| EP-0450097-B1 | BENZOHETEROCYCLIC COMPOUNDS | OTSUKA PHARMA CO LTD (JP) | 1996-04-24 | — | — | EP | disclosed |
| EP-0450097-A1 | BENZOHETEROCYCLIC COMPOUNDS. | OTSUKA PHARMA CO LTD (JP) | 1991-10-09 | — | — | EP | disclosed |
| WO-1991005549-A1 | BENZOHETEROCYCLIC COMPOUNDS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1991-05-02 | — | — | WO | disclosed |