Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1B1 | Q16678 | 16/20 | 1.00 |
| ▸ | CYP1A1 | P04798 | 15/20 | 1.00 |
| ▸ | CYP1A2 | P05177 | 15/20 | 1.00 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.64 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.63 |
| ▸ | CFTR | P13569 | 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 | |
|---|---|---|---|---|
| SCHEMBL28707148 | 1.00 | CYP1B1 (1.00) | CYP1B1CYP1A1CYP1A2NPY5RALOX5 | |
| SCHEMBL23742626 | 0.94 | CYP1A1 (0.88) | CYP1B1CYP1A1CYP1A2NPY5RALOX5 | |
| SCHEMBL29654026 | 0.91 | CYP1B1 (1.00) | CYP1B1CYP1A1CYP1A2NPY5R | |
| SCHEMBL28716326 | 0.91 | CYP1B1 (1.00) | CYP1B1CYP1A1CYP1A2NPY5R | |
| SCHEMBL12298090 | 0.91 | CYP1A1 (0.83) | CYP1B1CYP1A1CYP1A2NPY5RALOX5 | |
| SCHEMBL28936800 | 0.87 | CYP1A1 (1.00) | CYP1B1CYP1A1CYP1A2 | |
| SCHEMBL29654232 | 0.87 | CYP1A1 (1.00) | CYP1B1CYP1A1CYP1A2 | |
| SCHEMBL23742597 | 0.87 | CYP1A1 (0.76) | CYP1B1CYP1A1CYP1A2NPY5RALOX5 | |
| SCHEMBL5022850 | 0.85 | CYP1A1 (0.74) | CYP1B1CYP1A1CYP1A2NPY5RALOX5 | |
| SCHEMBL29654056 | 0.85 | CYP1A1 (0.81) | CYP1B1CYP1A1CYP1A2ALOX5CFTR |
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 |