Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1I2 | O75469 | 1/20 | 0.39 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.37 |
| ▸ | PDE2A | O00408 | 4/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | ABL1 | P00519 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | DRD1 | P21728 | 1/20 | 0.34 |
| ▸ | DRD4 | P21917 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | DRD3 | P35462 | 1/20 | 0.34 |
| ▸ | JAK2 | O60674 | 1/20 | 0.33 |
| ▸ | JAK1 | P23458 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL21947201 | 0.86 | HPGD (0.41) | NR1I2SMN1; SMN2MEN1KMT2ANPC1 | |
| SCHEMBL20654123 | 0.85 | ROCK2 (0.49) | ROCK2PDE2ARAB9A | |
| SCHEMBL20646745 | 0.85 | ROCK2 (0.40) | ROCK2PDE2ASMN1; SMN2MEN1KMT2A | |
| SCHEMBL20646858 | 0.85 | PDE2A (0.37) | ROCK2PDE2ADRD2DRD1DRD4 | |
| SCHEMBL17437904 | 0.85 | PRKAB2 (0.40) | ROCK2SMN1; SMN2GAAROCK1NPC1 | |
| SCHEMBL20646991 | 0.84 | ROCK2 (0.45) | ROCK2PDE2A | |
| SCHEMBL20647024 | 0.84 | ROCK2 (0.40) | ROCK2PDE2ASMN1; SMN2NPC1MAPT | |
| SCHEMBL19997307 | 0.84 | MEN1 (0.43) | ROCK2PDE2ASMN1; SMN2MEN1KMT2A | |
| SCHEMBL23889125 | 0.84 | ROCK2 (0.36) | ROCK2PDE2AJAK2JAK1TYK2 | |
| SCHEMBL21947322 | 0.83 | KDM4E (0.49) | SMN1; SMN2GAAMAPTDRD4HTR2A |
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-3954681-A1 | SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK | Bristol-Myers Squibb Company (US) | 2022-02-16 | — | — | EP | disclosed |