Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.33 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.33 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.33 |
| ▸ | AHR | P35869 | 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 | |
|---|---|---|---|---|
| SCHEMBL30449010 | 0.83 | TDP1 (0.50) | CYP3A4TSHRTDP1GABRA1GABRB1 | |
| SCHEMBL4324429 | 0.83 | TDP1 (0.50) | CYP3A4TSHRTDP1GABRA1GABRB1 | |
| SCHEMBL21546553 | 0.72 | CYP2A6 (0.33) | CYP3A4TSHRTDP1 | |
| SCHEMBL10065756 | 0.70 | — | — | |
| SCHEMBL21546552 | 0.69 | CYP3A4 (0.33) | CYP3A4TSHRTDP1GABRA1GABRB1 | |
| SCHEMBL29010717 | 0.68 | TDP1 (0.38) | CYP3A4TSHRTDP1GABRA1GABRB1 | |
| SCHEMBL20356132 | 0.67 | PARP1 (0.42) | CYP3A4TSHRTDP1GABRA1GABRB1 | |
| SCHEMBL22601373 | 0.64 | ALDH1A1 (0.41) | CYP3A4TSHRTDP1AHR | |
| SCHEMBL12165264 | 0.63 | TSHR (0.35) | TSHR | |
| SCHEMBL27308331 | 0.63 | TDP1 (0.43) | CYP3A4TSHRTDP1GABRA1GABRB1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3564245-A1 | NAPHTHOBISCHALCOGENADIAZOLE DERIVATIVE AND PRODUCTION METHOD THEREFOR | Osaka University (JP) | 2019-11-06 | — | — | EP | disclosed |