Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.41 |
| ▸ | USP2 | O75604 | 4/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.40 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.40 |
| ▸ | DRD1 | P21728 | 1/20 | 0.40 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | HRH1 | P35367 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL25679011 | 0.92 | HPGD (0.50) | HPGDCYP2D6P2RX7CHRM2CHRM4 | |
| SCHEMBL25679151 | 0.86 | CHRM2 (0.40) | HPGDCYP2D6USP2P2RX7CHRM2 | |
| SCHEMBL25679853 | 0.85 | CHRM2 (0.49) | HPGDCYP2D6USP2CYP1A2CYP2C19 | |
| SCHEMBL25679855 | 0.85 | P2RX7 (0.49) | HPGDCYP2D6CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL25679957 | 0.84 | OPRD1 (0.47) | CYP3A4P2RX7OPRM1ALDH1A1NPSR1 | |
| SCHEMBL25680084 | 0.83 | OPRD1 (0.46) | CYP3A4P2RX7OPRM1ALDH1A1NPSR1 | |
| SCHEMBL25679602 | 0.83 | OPRM1 (0.38) | CYP2D6USP2CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL25679141 | 0.82 | TACR3 (0.58) | CYP2D6CYP1A2CYP2C9CYP2C19P2RX7 | |
| SCHEMBL25676368 | 0.81 | DPP4 (0.43) | HPGDCYP2D6P2RX7CHRM2CHRM4 | |
| SCHEMBL25680562 | 0.81 | ALDH1A1 (0.39) | HPGDCYP2D6USP2P2RX7CHRM2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023122260-A2 | INHIBITORS OF SARS-COV-2 | THE TEXAS A&M UNIVERSITY SYSTEM (US) | 2023-06-29 | — | — | WO | disclosed |