Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 2/20 | 0.48 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.40 |
| ▸ | DRD4 | P21917 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | P2RY12 | Q9H244 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | CHEK1 | O14757 | 3/20 | 0.38 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.37 |
| ▸ | CHIA | Q9BZP6 | 1/20 | 0.37 |
| ▸ | MELK | Q14680 | 1/20 | 0.36 |
| ▸ | PLOD2 | O00469 | 1/20 | 0.36 |
| ▸ | PLOD3 | O60568 | 1/20 | 0.36 |
| ▸ | PLOD1 | Q02809 | 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 | |
|---|---|---|---|---|
| SCHEMBL19902388 | 0.90 | HTT (0.44) | ROCK2HDAC8DRD4DRD3KDM4E | |
| SCHEMBL17454371 | 0.87 | ROCK2 (0.48) | ROCK2DRD4DRD3KDM4ECHEK1 | |
| SCHEMBL17437823 | 0.86 | ROCK2 (0.48) | ROCK2DRD4DRD3KDM4ECHEK1 | |
| SCHEMBL23889078 | 0.84 | ROCK2 (0.39) | ROCK2DRD4DRD3KDM4ESMN1; SMN2 | |
| SCHEMBL20653889 | 0.82 | ROCK2 (0.46) | ROCK2DRD4DRD3KDM4ECHEK1 | |
| SCHEMBL17452636 | 0.82 | ROCK2 (0.46) | ROCK2HDAC3HDAC8DRD4DRD3 | |
| SCHEMBL19902550 | 0.81 | ROCK2 (0.36) | ROCK2DRD4DRD3KDM4ENPC1 | |
| SCHEMBL19902678 | 0.81 | ROCK2 (0.38) | ROCK2DRD4DRD3KDM4ENPC1 | |
| SCHEMBL19902552 | 0.81 | ROCK2 (0.36) | ROCK2DRD4DRD3KDM4ESMN1; SMN2 | |
| SCHEMBL19902684 | 0.81 | ROCK2 (0.36) | ROCK2DRD4DRD3KDM4ESMN1; SMN2 |
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 2 patents. 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 |
| US-9902702-B2 | Spirocycloheptanes as inhibitors of rock | BRISTOL-MYERS SQUIBB COMPANY (US) | 2018-02-27 | — | — | US | disclosed |