Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 4/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | SLC27A1 | Q6PCB7 | 1/20 | 0.33 |
| ▸ | EPHB3 | P54753 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | KDM4C | Q9H3R0 | 2/20 | 0.32 |
| ▸ | DRD4 | P21917 | 1/20 | 0.32 |
| ▸ | DRD3 | P35462 | 1/20 | 0.32 |
| ▸ | SIK1 | P57059 | 1/20 | 0.32 |
| ▸ | SIK2 | Q9H0K1 | 1/20 | 0.32 |
| ▸ | SIK3 | Q9Y2K2 | 1/20 | 0.32 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.32 |
| ▸ | SPR | P35270 | 1/20 | 0.31 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.31 |
| ▸ | MET | P08581 | 1/20 | 0.31 |
| ▸ | AXL | P30530 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 2/20 | 0.31 |
| ▸ | RAB9A | P51151 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL19902549 | 0.91 | MET (0.38) | ROCK2KCNH2SLC27A1SPRMET | |
| SCHEMBL23889078 | 0.88 | ROCK2 (0.39) | ROCK2KCNH2SLC27A1KDM4EALDH1A1 | |
| SCHEMBL17454412 | 0.87 | ROCK2 (0.38) | ROCK2KCNH2EPHB3KDM4EALDH1A1 | |
| SCHEMBL23889087 | 0.87 | ROCK2 (0.43) | ROCK2KCNH2SLC27A1EPHB3KDM4E | |
| SCHEMBL23889162 | 0.85 | ROCK2 (0.51) | ROCK2KCNH2EPHB3KDM4EALDH1A1 | |
| SCHEMBL17438068 | 0.85 | ROCK2 (0.36) | ROCK2EPHB3KDM4CDRD4DRD3 | |
| SCHEMBL17452621 | 0.84 | ROCK2 (0.37) | ROCK2EPHB3DRD4DRD3SPR | |
| SCHEMBL19902388 | 0.84 | HTT (0.44) | ROCK2KCNH2SLC27A1EPHB3KDM4E | |
| SCHEMBL19902550 | 0.83 | ROCK2 (0.36) | ROCK2KCNH2SLC27A1EPHB3KDM4E | |
| SCHEMBL19902576 | 0.81 | ROCK2 (0.48) | ROCK2KDM4EDRD4DRD3NPC1 |
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 |