Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPM5 | Q9NZQ8 | 1/20 | 0.35 |
| ▸ | DRD4 | P21917 | 5/20 | 0.33 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.33 |
| ▸ | DRD2 | P14416 | 2/20 | 0.33 |
| ▸ | DRD3 | P35462 | 2/20 | 0.33 |
| ▸ | HTR2C | P28335 | 2/20 | 0.33 |
| ▸ | GRM5 | P41594 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.33 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.32 |
| ▸ | JAK2 | O60674 | 1/20 | 0.32 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.32 |
| ▸ | AOC3 | Q16853 | 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 | |
|---|---|---|---|---|
| SCHEMBL30037300 | 0.86 | P2RX7 (0.38) | DRD4P2RX7DRD2DRD3CYP1A2 | |
| SCHEMBL20162969 | 0.86 | P2RX7 (0.38) | DRD4P2RX7DRD2DRD3CYP1A2 | |
| SCHEMBL16810238 | 0.84 | NOTUM (0.47) | DRD4DRD2DRD3HTR2CKCNH2 | |
| SCHEMBL20162771 | 0.80 | DRD2 (0.49) | DRD4P2RX7DRD2DRD3NOTUM | |
| SCHEMBL30037628 | 0.80 | DRD2 (0.49) | DRD4P2RX7DRD2DRD3NOTUM | |
| SCHEMBL10835784 | 0.78 | GAA (0.42) | TRPM5GRM5KCNH2CYP1A2CYP3A4 | |
| SCHEMBL2414192 | 0.74 | DRD4 (0.54) | DRD4DRD2DRD3HTR2CNOTUM | |
| SCHEMBL30767606 | 0.74 | EPHX2 (0.34) | GRM2 | |
| SCHEMBL2412452 | 0.72 | NOTUM (0.47) | DRD4DRD2DRD3HTR2CCYP1A2 | |
| SCHEMBL31517466 | 0.72 | NOTUM (0.47) | DRD4DRD2DRD3HTR2CCYP1A2 |
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-106543139-B | Triazolone compound and application thereof | 沈阳中化农药化工研发有限公司 | 2020-03-17 | — | — | CN | disclosed |