Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 4/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL289518 | 0.90 | CYP3A4 (0.45) | CYP3A4TDP1ESR1ESR2MAPK1 | |
| SCHEMBL9661777 | 0.87 | CYP3A4 (0.43) | CYP3A4TDP1ESR1ESR2MAPK1 | |
| SCHEMBL18796540 | 0.76 | CYP3A4 (0.38) | CYP3A4TDP1ESR1ESR2MAPK1 | |
| SCHEMBL11649729 | 0.74 | CYP3A4 (0.45) | CYP3A4TDP1ESR1ESR2MAPK1 | |
| SCHEMBL301240 | 0.74 | CYP3A4 (0.45) | CYP3A4TDP1ESR1ESR2MAPK1 | |
| SCHEMBL2313918 | 0.74 | CYP3A4 (0.45) | CYP3A4TDP1ESR1ESR2MAPK1 | |
| SCHEMBL8944897 | 0.73 | CYP3A4 (0.39) | CYP3A4TDP1ESR1ESR2MAPK1 | |
| SCHEMBL5272975 | 0.73 | CYP3A4 (0.39) | CYP3A4TDP1ESR1ESR2MAPK1 | |
| SCHEMBL10412404 | 0.72 | CYP3A4 (0.43) | CYP3A4TDP1ESR1ESR2MAPK1 | |
| Hydrochloric Acid SCHEMBL28963440 | 0.72 | CYP3A4 (0.43) | CYP3A4TDP1ESR1ESR2MAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-119546578-A | Process for the preparation of 5-bromo-3, 4-dimethylpyridin-2-amine and 6-bromo-7, 8-dimethyl- [1,2,4] triazolo [1,5-a ] pyridine | 百时美施贵宝公司 | 2025-02-28 | — | — | CN | disclosed |