Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 7/20 | 0.45 |
| ▸ | CYP19A1 | P11511 | 8/20 | 0.42 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | QPCT | Q16769 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | QPCTL | Q9NXS2 | 1/20 | 0.37 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL22749261 | 1.00 | CYP17A1 (0.45) | CYP17A1CYP19A1CYP26A1NFKB1QPCT | |
| SCHEMBL14723000 | 0.80 | CYP17A1 (0.42) | CYP17A1CYP19A1CYP26A1NFKB1QPCT | |
| SCHEMBL21900876 | 0.76 | CYP19A1 (0.50) | CYP17A1CYP19A1CYP26A1NFKB1QPCT | |
| SCHEMBL22604081 | 0.76 | CYP19A1 (0.50) | CYP17A1CYP19A1CYP26A1NFKB1QPCT | |
| SCHEMBL9133758 | 0.76 | CYP19A1 (0.50) | CYP17A1CYP19A1CYP26A1NFKB1QPCT | |
| SCHEMBL10788842 | 0.76 | — | — | |
| SCHEMBL9134255 | 0.76 | CYP17A1 (0.44) | CYP17A1CYP19A1CYP26A1NFKB1QPCT | |
| SCHEMBL459642 | 0.75 | CYP19A1 (0.48) | CYP17A1CYP19A1CYP26A1NFKB1QPCT | |
| SCHEMBL86131 | 0.75 | — | — | |
| Bromide SCHEMBL10788279 | 0.74 | — | — |
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-5439927-A | For potassium channel opening, hypotensive agents, broncho- or vasodilators, gastrointestinal disorders | MITSUBISHI KASEI CORPORATION (JP) | 1995-08-08 | — | — | US | disclosed |
| US-5332833-A | Potassium channel modulator, hypotensive, hypersensitive colon syndrome, asthma, enteritis | MITSUBISHI KASEI CORPORATION (JP) | 1994-07-26 | — | — | US | disclosed |
| US-4965366-A | REACTING AZOLE, TRISUBSTITUTED SILANE, AND PRIMARY AMINE | PPG INDUSTRIES, INC. (US) | 1990-10-23 | — | — | US | disclosed |