Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN5 | P54829 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.36 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.36 |
| ▸ | CFTR | P13569 | 4/20 | 0.35 |
| ▸ | AR | P10275 | 2/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.34 |
| ▸ | KIF11 | P52732 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL20051331 | 0.86 | HDAC1 (0.40) | PTPN5HDAC1PTGS1L3MBTL1CA12 | |
| SCHEMBL8530986 | 0.83 | CFTR (0.40) | PTPN5CFTRARCA12CA1 | |
| SCHEMBL4568241 | 0.81 | PTPN5 (0.38) | PTPN5ARL3MBTL1CA12CA1 | |
| SCHEMBL7750665 | 0.80 | HDAC1 (0.36) | HDAC1NR3C2ARCA1CA2 | |
| SCHEMBL6268915 | 0.79 | CYP1A2 (0.38) | PTPN5CFTRARL3MBTL1CA12 | |
| SCHEMBL22637106 | 0.79 | HDAC1 (0.39) | HDAC1NR3C2CFTRARPTGS1 | |
| SCHEMBL5396104 | 0.76 | AR (0.44) | ARL3MBTL1 | |
| SCHEMBL20051324 | 0.75 | PTPN5 (0.38) | PTPN5HDAC1L3MBTL1CA12CA1 | |
| SCHEMBL20051715 | 0.73 | HDAC1 (0.52) | HDAC1HDAC2 | |
| SCHEMBL6816450 | 0.72 | GAA (0.47) | PTPN5PTGS1L3MBTL1CA12CA1 |
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-0596358-B1 | 0-Phenylenediamines containing fluoroakyl(ene) groups and their use as intermediates in the preparation of benzimidazoles | BAYER AG (DE) | 1998-10-28 | — | — | EP | disclosed |
| US-5484953-A | CHEMICAL INTERMEDIATES FOR BENZIMIDAZOLES FOR INSECTICIDES OR NEMATOCIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1996-01-16 | — | — | US | disclosed |
| EP-0596358-A1 | 0-Phenylenediamines containing fluoroakyl(ene) groups and their use as intermediates in the preparation of benzimidazoles | BAYER AG (DE) | 1994-05-11 | — | — | EP | disclosed |