Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 17/20 | 1.00 |
| ▸ | CYP1B1 | Q16678 | 17/20 | 1.00 |
| ▸ | CYP1A2 | P05177 | 16/20 | 1.00 |
| ▸ | ALOX5 | P09917 | 3/20 | 0.71 |
| ▸ | AMY1A | P0DUB6 | 1/20 | 0.56 |
| ▸ | VCP | P55072 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL12298054 | 0.91 | CYP1A1 (0.82) | CYP1A1CYP1B1CYP1A2ALOX5AMY1A | |
| SCHEMBL29654056 | 0.90 | CYP1A1 (0.81) | CYP1A1CYP1B1CYP1A2ALOX5 | |
| SCHEMBL28716316 | 0.90 | CYP1A1 (0.81) | CYP1A1CYP1B1CYP1A2ALOX5 | |
| SCHEMBL28712378 | 0.90 | CYP1A1 (1.00) | CYP1A1CYP1B1CYP1A2ALOX5VCP | |
| SCHEMBL28703723 | 0.88 | CYP1A1 (1.00) | CYP1A1CYP1B1CYP1A2ALOX5AMY1A | |
| SCHEMBL28701564 | 0.87 | CYP1B1 (0.77) | CYP1A1CYP1B1CYP1A2ALOX5 | |
| SCHEMBL29654118 | 0.87 | CYP1A1 (1.00) | CYP1A1CYP1B1CYP1A2VCP | |
| SCHEMBL28703744 | 0.87 | CYP1A1 (1.00) | CYP1A1CYP1B1CYP1A2VCP | |
| SCHEMBL28703752 | 0.84 | CYP1B1 (0.80) | CYP1A1CYP1B1CYP1A2ALOX5VCP | |
| SCHEMBL28712411 | 0.84 | CYP1A1 (1.00) | CYP1A1CYP1B1CYP1A2ALOX5VCP |
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-114249702-A | N-aryl- [2,4 '-bithiazole ] -2' -amine compound and preparation and application thereof | 沈阳药科大学 | 2022-03-29 | — | — | CN | disclosed |