Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | USP30 | Q70CQ3 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | ACACB | O00763 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | SLC27A1 | Q6PCB7 | 1/20 | 0.33 |
| ▸ | MYC | P01106 | 2/20 | 0.33 |
| ▸ | WDR5 | P61964 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | IDH1 | O75874 | 1/20 | 0.33 |
| ▸ | DRD4 | P21917 | 1/20 | 0.32 |
| ▸ | DRD3 | P35462 | 1/20 | 0.32 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.32 |
| ▸ | CYP46A1 | Q9Y6A2 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL19902552 | 1.00 | ROCK2 (0.36) | ROCK2KDM4EALDH1A1HSD17B10USP2 | |
| SCHEMBL19902550 | 0.92 | ROCK2 (0.36) | ROCK2KDM4EALDH1A1HSD17B10USP2 | |
| SCHEMBL17454484 | 0.88 | USP30 (0.37) | ROCK2KDM4EALDH1A1HSD17B10USP2 | |
| SCHEMBL17454366 | 0.88 | USP30 (0.37) | ROCK2KDM4EALDH1A1HSD17B10USP2 | |
| SCHEMBL17437838 | 0.86 | KEAP1 (0.39) | ROCK2ALDH1A1USP2USP30SMN1; SMN2 | |
| SCHEMBL17437907 | 0.86 | KEAP1 (0.39) | ROCK2ALDH1A1USP2USP30SMN1; SMN2 | |
| SCHEMBL17437836 | 0.86 | KEAP1 (0.39) | ROCK2ALDH1A1USP2USP30SMN1; SMN2 | |
| SCHEMBL17452622 | 0.84 | ACACB (0.36) | ROCK2KDM4EALDH1A1HSD17B10USP2 | |
| SCHEMBL17452620 | 0.84 | ACACB (0.36) | ROCK2KDM4EALDH1A1HSD17B10USP2 | |
| SCHEMBL19902388 | 0.83 | HTT (0.44) | ROCK2KDM4EALDH1A1HSD17B10USP2 |
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 |