Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD4 | P21917 | 7/20 | 0.57 |
| ▸ | DRD3 | P35462 | 7/20 | 0.57 |
| ▸ | DRD2 | P14416 | 6/20 | 0.57 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.50 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.50 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.48 |
| ▸ | REV1 | Q9UBZ9 | 1/20 | 0.45 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.45 |
| ▸ | DEGS1 | O15121 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | MMP2 | P08253 | 1/20 | 0.43 |
| ▸ | MMP8 | P22894 | 1/20 | 0.43 |
| ▸ | HTR1A | P08908 | 1/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | HTR7 | P34969 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL18790961 | 0.84 | DRD4 (0.51) | DRD4DRD3DRD2CHRNB4CHRNA3 | |
| SCHEMBL5114345 | 0.79 | REV1 (0.65) | REV1DEGS1GAAHTR1A | |
| Hydrochloric Acid SCHEMBL1373922 | 0.78 | REV1 (0.63) | REV1GAAHTR1A | |
| SCHEMBL18790962 | 0.75 | CYP11B2 (0.45) | DRD4DRD3DRD2CYP11B2DEGS1 | |
| SCHEMBL18790712 | 0.74 | HTR1A (0.64) | DRD4DRD3DRD2CHRNB4CHRNA3 | |
| SCHEMBL18790711 | 0.74 | GPR119 (0.48) | DRD4DRD3DRD2CHRNB4CHRNA3 | |
| SCHEMBL18790968 | 0.73 | SCN9A (0.41) | DRD4DRD3DRD2REV1GAA | |
| SCHEMBL25226624 | 0.73 | GAA (0.43) | DRD4DRD3DRD2CYP11B2REV1 | |
| SCHEMBL30428473 | 0.73 | GAA (0.43) | DRD4DRD3DRD2CYP11B2REV1 | |
| SCHEMBL7503673 | 0.73 | DRD2 (1.00) | DRD4DRD3DRD2HTR1AHTR2A |
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-2017069226-A1 | NOVEL NITROGEN-CONTAINING AROMATIC HETEROCYCLIC COMPOUND | 田辺三菱製薬株式会社 | 2017-04-27 | — | — | WO | disclosed |