Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 6/20 | 0.46 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.46 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 6/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | ASIC3 | Q9UHC3 | 2/20 | 0.40 |
| ▸ | ACACB | O00763 | 1/20 | 0.39 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.38 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.38 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.38 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.38 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.38 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL13046229 | 1.00 | CYP1A2 (0.46) | CYP1A2CYP1A1CYP1B1CYP2A6TDP1 | |
| SCHEMBL1914269 | 0.92 | CYP1A1 (0.38) | CYP1A2CYP1A1CYP1B1ASIC3GABRA1 | |
| SCHEMBL12986433 | 0.90 | CYP1A2 (0.37) | CYP1A2CYP1A1CYP1B1CYP2A6ASIC3 | |
| SCHEMBL29613024 | 0.88 | CYP1A1 (0.36) | CYP1A2CYP1A1CYP1B1ASIC3GABRA1 | |
| SCHEMBL13017594 | 0.85 | ESR1 (0.47) | CYP1A2CYP1A1CYP1B1ALDH1A1CYP3A4 | |
| SCHEMBL12278237 | 0.85 | CYP1A2 (0.49) | CYP1A2CYP1A1CYP1B1TDP1ASIC3 | |
| SCHEMBL12405253 | 0.84 | CYP1A2 (0.65) | CYP1A2CYP1A1CYP1B1CYP2A6TDP1 | |
| SCHEMBL12278123 | 0.84 | CYP1A2 (0.65) | CYP1A2CYP1A1CYP1B1CYP2A6TDP1 | |
| SCHEMBL13017600 | 0.83 | HSD17B1 (0.46) | CYP1A2CYP1A1CYP1B1ALDH1A1CYP3A4 | |
| SCHEMBL5775576 | 0.82 | CYP11B1 (0.43) | CYP2A6CA1CA2 |
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-111961052-B | Preparation method of gamma-carboline derivative | 沈阳师范大学 | 2022-06-03 | — | — | CN | disclosed |