Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 8/20 | 0.69 |
| ▸ | USP2 | O75604 | 7/20 | 0.69 |
| ▸ | ADRB1 | P08588 | 4/20 | 0.67 |
| ▸ | GABRD | O14764 | 2/20 | 0.56 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.56 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.56 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.56 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.56 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.56 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.56 |
| ▸ | GABRA4 | P48169 | 2/20 | 0.56 |
| ▸ | TSHR | P16473 | 9/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.53 |
| ▸ | TP53 | P04637 | 3/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.53 |
| ▸ | DRD2 | P14416 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 6/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL15235472 | 0.90 | ADRB1 (0.58) | CYP2D6USP2ADRB1GABRDGABRA1 | |
| SCHEMBL26407376 | 0.85 | MAPT (0.56) | CYP2D6USP2ADRB1GABRDGABRA1 | |
| SCHEMBL24123989 | 0.84 | ADRB1 (0.58) | CYP2D6USP2ADRB1GABRDGABRA1 | |
| SCHEMBL20842185 | 0.83 | CYP2D6 (0.60) | CYP2D6USP2ADRB1GABRDGABRA1 | |
| SCHEMBL19832328 | 0.83 | ADRB1 (0.52) | CYP2D6USP2ADRB1TSHRCYP3A4 | |
| SCHEMBL13050532 | 0.82 | CYP2D6 (0.69) | CYP2D6USP2ADRB1TSHRCYP3A4 | |
| SCHEMBL1778852 | 0.82 | CYP2D6 (0.69) | CYP2D6USP2ADRB1TSHRCYP3A4 | |
| SCHEMBL22537876 | 0.81 | ADRB1 (0.50) | CYP2D6USP2ADRB1TSHRCYP3A4 | |
| SCHEMBL26418600 | 0.81 | ADRB1 (0.50) | CYP2D6USP2ADRB1TSHRCYP3A4 | |
| SCHEMBL24123997 | 0.81 | CYP2D6 (0.63) | CYP2D6USP2ADRB1TSHRCYP3A4 |
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-4169919-A1 | PYRAZOLO[3,4-D]PYRIMIDINE-3-KETONE DERIVATIVE AS WEE-1 INHIBITOR | Wigen Biomedicine Technology (Shanghai) Co., Ltd. (CN) | 2023-04-26 | — | — | EP | disclosed |