Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 9/20 | 0.51 |
| ▸ | DRD4 | P21917 | 9/20 | 0.51 |
| ▸ | DRD3 | P35462 | 9/20 | 0.51 |
| ▸ | DRD1 | P21728 | 7/20 | 0.51 |
| ▸ | HTR2A | P28223 | 7/20 | 0.51 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.34 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.32 |
| ▸ | RET | P07949 | 1/20 | 0.31 |
| ▸ | ERN1 | O75460 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL23888958 | 0.84 | DRD2 (0.48) | DRD2DRD4DRD3DRD1HTR2A | |
| SCHEMBL23888996 | 0.81 | DRD2 (0.50) | DRD2DRD4DRD3DRD1HTR2A | |
| SCHEMBL23888955 | 0.81 | DRD2 (0.55) | DRD2DRD4DRD3DRD1HTR2A | |
| SCHEMBL19128299 | 0.80 | ROCK2 (0.40) | DRD2DRD4DRD3DRD1HTR2A | |
| SCHEMBL23889000 | 0.80 | DRD2 (0.51) | DRD2DRD4DRD3DRD1HTR2A | |
| SCHEMBL31546973 | 0.79 | DRD2 (0.50) | DRD2DRD4DRD3DRD1HTR2A | |
| SCHEMBL23888995 | 0.78 | DRD2 (0.48) | DRD2DRD4DRD3DRD1HTR2A | |
| SCHEMBL29936092 | 0.78 | DRD2 (0.50) | DRD2DRD4DRD3DRD1HTR2A | |
| Trifluoroacetic Acid SCHEMBL31133422 | 0.71 | DRD2 (0.43) | DRD2DRD4DRD3DRD1HTR2A | |
| SCHEMBL23888980 | 0.70 | DRD2 (0.52) | DRD2DRD4DRD3DRD1HTR2A |
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-3402790-B1 | SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK | BRISTOL MYERS SQUIBB CO (US) | 2021-10-06 | — | — | EP | disclosed |