Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 10/20 | 0.59 |
| ▸ | CYP19A1 | P11511 | 9/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.44 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8080716 | 1.00 | CYP17A1 (0.59) | CYP17A1CYP19A1ALDH1A1KMT2AMEN1 | |
| SCHEMBL8068078 | 1.00 | CYP17A1 (0.59) | CYP17A1CYP19A1ALDH1A1KMT2AMEN1 | |
| SCHEMBL8068295 | 0.84 | CYP17A1 (0.62) | CYP17A1CYP19A1KMT2AMEN1P2RX7 | |
| SCHEMBL8067921 | 0.84 | CYP17A1 (0.62) | CYP17A1CYP19A1KMT2AMEN1P2RX7 | |
| SCHEMBL8067920 | 0.84 | CYP17A1 (0.62) | CYP17A1CYP19A1KMT2AMEN1P2RX7 | |
| SCHEMBL8898867 | 0.74 | CYP17A1 (1.00) | CYP17A1CYP19A1ALDH1A1KMT2AMEN1 | |
| SCHEMBL8898120 | 0.74 | CYP17A1 (1.00) | CYP17A1CYP19A1ALDH1A1KMT2AMEN1 | |
| SCHEMBL8898126 | 0.74 | CYP17A1 (1.00) | CYP17A1CYP19A1ALDH1A1KMT2AMEN1 | |
| SCHEMBL1071514 | 0.72 | ALDH1A1 (0.46) | ALDH1A1KMT2AMEN1HSD11B1 | |
| SCHEMBL1677568 | 0.71 | FFAR1 (0.54) | CYP19A1ALDH1A1L3MBTL1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0640072-B1 | Derivatives of pyridine as hydroxylase and lyase inhibitors | BTG INT LTD (GB) | 2000-08-23 | — | — | EP | disclosed |
| US-5595995-A | ANTICARCINOGENIC AGENTS | BRITISH TECHNOLOGY GROUP LIMITED (GB) | 1997-01-21 | — | — | US | disclosed |
| EP-0640072-A1 | SUBSTITUTED PYRIDINES, THEIR PREPARATION AND PHARMACEUTICAL USE | BTG INTERNATIONAL LIMITED (GB) | 1995-03-01 | — | — | EP | disclosed |
| WO-1993023375-A1 | SUBSTITUTED PYRIDINES, THEIR PREPARATION AND PHARMACEUTICAL USE | BRITISH TECHNOLOGY GROUP LIMITED (GB) | 1993-11-25 | — | — | WO | disclosed |