Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 7/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 3/20 | 0.34 |
| ▸ | RAB9A | P51151 | 3/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | TNKS | O95271 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | GSK3B | P49841 | 2/20 | 0.31 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.31 |
| ▸ | CPT1A | P50416 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | 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 | |
|---|---|---|---|---|
| SCHEMBL17452989 | 0.84 | ROCK2 (0.51) | ROCK1KDM4ESMN1; SMN2HSD17B10ROCK2 | |
| SCHEMBL19902494 | 0.81 | ROCK1 (0.48) | ROCK1KDM4ESMN1; SMN2HSD17B10ROCK2 | |
| SCHEMBL19902502 | 0.71 | ROCK1 (0.37) | ROCK1ROCK2TSHRPOLB | |
| SCHEMBL20225650 | 0.71 | ROCK2 (0.52) | ROCK1ROCK2GSK3BDYRK1A | |
| SCHEMBL20229826 | 0.69 | CSF1R (0.40) | ROCK1ROCK2TSHRPOLB | |
| SCHEMBL19902431 | 0.69 | USP30 (0.41) | ROCK1ROCK2TSHRTNKSGSK3B | |
| SCHEMBL17452986 | 0.68 | ROCK2 (0.50) | ROCK1KDM4ESMN1; SMN2HSD17B10ROCK2 | |
| SCHEMBL20229984 | 0.67 | ROCK1 (0.42) | ROCK1ROCK2GSK3BDYRK1A | |
| SCHEMBL19902342 | 0.66 | KDM4E (0.45) | ROCK1KDM4EHSD17B10NPC1RAB9A | |
| SCHEMBL17452902 | 0.66 | ROCK2 (0.53) | ROCK1KDM4ESMN1; SMN2HSD17B10ROCK2 |
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 |
|---|---|---|---|---|---|---|---|
| US-9902702-B2 | Spirocycloheptanes as inhibitors of rock | BRISTOL-MYERS SQUIBB COMPANY (US) | 2018-02-27 | — | — | US | disclosed |