Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 1/20 | 0.46 |
| ▸ | DRD4 | P21917 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | CASP1 | P29466 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | CASP7 | P55210 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3238935 | 0.81 | DRD2 (0.50) | DRD2DRD4ALDH1A1MAPTALOX15 | |
| SCHEMBL12336061 | 0.72 | AHR (0.49) | GAA | |
| SCHEMBL395752 | 0.70 | DRD2 (0.53) | DRD2DRD4ALDH1A1MAPTALOX15 | |
| SCHEMBL19778192 | 0.69 | CA12 (0.54) | DRD2DRD4ALDH1A1MAPTALOX15 | |
| SCHEMBL8529985 | 0.68 | DRD2 (0.50) | DRD2DRD4ALDH1A1MAPTALOX15 | |
| SCHEMBL12461 | 0.67 | DRD2 (0.59) | DRD2DRD4ALDH1A1MAPTALOX15 | |
| SCHEMBL3279456 | 0.67 | DRD2 (0.59) | DRD2DRD4ALDH1A1MAPTALOX15 | |
| SCHEMBL25939700 | 0.67 | DRD2 (0.53) | DRD2DRD4ALDH1A1MAPTALOX15 | |
| SCHEMBL19520635 | 0.67 | HRH3 (0.56) | DRD2DRD4ALDH1A1MAPTALOX15 | |
| SCHEMBL9093928 | 0.67 | ALDH1A1 (0.79) | DRD2DRD4ALDH1A1MAPTALOX15 |
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-2018011747-A1 | POLYCYCLIC COMPOUNDS AS ROR-GAMMA MODULATORS | CADILA HEALTHCARE LIMITED (IN) | 2018-01-18 | — | — | WO | disclosed |