Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MIF | P14174 | 1/20 | 0.49 |
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | CA7 | P43166 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.48 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.45 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.45 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL10610133 | 0.83 | TAS1R3 (0.47) | MIFCA12CA1CA2CA7 | |
| SCHEMBL3606244 | 0.83 | MIF (0.49) | MIFCA12CA1CA2CA7 | |
| SCHEMBL10605758 | 0.80 | MMP13 (0.48) | CA12CA1CA2CA7CA9 | |
| SCHEMBL10610045 | 0.79 | MMP13 (0.45) | SLC2A1 | |
| SCHEMBL10608578 | 0.77 | MMP13 (0.47) | SLC2A1 | |
| SCHEMBL28217716 | 0.77 | ESR1 (0.55) | MIFCA12CA1CA2CA7 | |
| SCHEMBL4705880 | 0.77 | FFAR1 (0.53) | MIFCA12CA1CA2CA7 | |
| SCHEMBL358549 | 0.77 | CYP17A1 (0.70) | MIFCA12CA1CA2CA7 | |
| SCHEMBL7182938 | 0.77 | PPARG (0.53) | CA12CA1CA2CA7CA9 | |
| SCHEMBL7188669 | 0.77 | CA1 (0.58) | CA12CA1CA2CA7CA9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0162208-B1 | NOVEL N-SUBSTITUTED 3,4-DIHYDROPYRIMIDINE DERIVATIVES, PROCESSES FOR PREPARING THEM AND PHARMACEUTICAL COMPOSITIONS | SUNTORY KABUSHIKI KAISHA, also known as SUNTORY LTD. (JP) | 1989-11-23 | — | — | EP | disclosed |
| US-4683234-A | HYPOTENSIVE AGENTS, ANTI-ANGINA | SUNTORY LIMITED (JP) | 1987-07-28 | — | — | US | disclosed |
| EP-0162208-A2 | Novel N-substituted 3,4-dihydropyrimidine derivatives, processes for preparing them and pharmaceutical compositions | SUNTORY KABUSHIKI KAISHA, also known as SUNTORY LTD. (JP) | 1985-11-27 | — | — | EP | disclosed |