Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | AHR | P35869 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 3/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.32 |
| ▸ | CASP1 | P29466 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL11822900 | 0.65 | — | — | |
| SCHEMBL348913 | 0.64 | AHR (0.67) | CYP3A4MAPK1AHRTSHRHPGD | |
| SCHEMBL8773848 | 0.64 | — | — | |
| SCHEMBL30461566 | 0.62 | NMT1 (0.35) | — | |
| SCHEMBL10040909 | 0.62 | — | — | |
| SCHEMBL25219379 | 0.62 | NMT1 (0.35) | — | |
| SCHEMBL5843888 | 0.62 | TSHR (0.39) | TSHR | |
| SCHEMBL8773850 | 0.61 | CYP3A4 (0.32) | CYP3A4MAPK1AHR | |
| SCHEMBL4300949 | 0.57 | CYP3A4 (0.41) | CYP3A4MAPK1AHRTSHRHPGD | |
| SCHEMBL877968 | 0.57 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7262210-B2 | Fluorinated pyridine N-oxide thrombin modulators and process for N-oxidation of nitrogen containing heteroaryls | JANSSEN PHARMACEUTICA N.V. (BE) | 2007-08-28 | — | — | US | disclosed |