Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL10748579 | 0.83 | CYP3A4 (0.39) | CYP3A4TSHRMAPK1TDP1 | |
| SCHEMBL8339603 | 0.76 | TSHR (0.39) | CYP3A4TSHRMAPK1TDP1 | |
| SCHEMBL7906403 | 0.73 | KEAP1 (0.44) | CYP3A4TSHRMAPK1TDP1 | |
| SCHEMBL11602607 | 0.72 | CYP3A4 (0.36) | CYP3A4TSHRMAPK1TDP1 | |
| SCHEMBL11278333 | 0.67 | PIK3CD (0.36) | TSHR | |
| SCHEMBL31440810 | 0.67 | HTT (0.33) | — | |
| SCHEMBL26615783 | 0.67 | HTT (0.33) | — | |
| SCHEMBL24773639 | 0.67 | ALDH1A1 (0.33) | CYP3A4TSHRMAPK1TDP1 | |
| SCHEMBL8235126 | 0.67 | KEAP1 (0.47) | — | |
| SCHEMBL10964870 | 0.65 | CYP3A4 (0.30) | CYP3A4TSHRMAPK1TDP1 |
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-0700903-B1 | PROCESS FOR PRODUCING CYANOPYRIDINE | IHARA CHEMICAL IND CO (JP) | 1997-11-12 | — | — | EP | disclosed |
| US-5675012-A | REACTING AMMONIUM HALIDE WITH TRICHLOROMETHYLPYRIDINE IN PRESENCE OF A COPPER AND ZINC COMPOUND | IHARA CHEMICAL INDUSTRY CO., LTD. (JP) | 1997-10-07 | — | — | US | disclosed |
| EP-0700903-A1 | PROCESS FOR PRODUCING CYANOPYRIDINE | IHARA CHEMICAL INDUSTRY CO., LTD. (JP) | 1996-03-13 | — | — | EP | disclosed |