Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 11/20 | 0.50 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.46 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.44 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.44 |
| ▸ | ACKR3 | P25106 | 2/20 | 0.43 |
| ▸ | MGLL | Q99685 | 1/20 | 0.42 |
| ▸ | WNT1 | P04628 | 1/20 | 0.40 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL17452954 | 0.88 | ROCK2 (0.58) | PARP1PRKAA2ROCK2ROCK1ACKR3 | |
| SCHEMBL20229924 | 0.81 | ROCK2 (0.43) | PRKAA2ROCK2ROCK1 | |
| SCHEMBL19902507 | 0.81 | DHODH (0.42) | ROCK2ROCK1ACKR3 | |
| SCHEMBL19902565 | 0.80 | USP30 (0.47) | ROCK2ROCK1WNT1DYRK1A | |
| SCHEMBL19902356 | 0.80 | CHRNA7 (0.45) | PARP1ROCK2ROCK1 | |
| SCHEMBL19902716 | 0.79 | USP30 (0.51) | ROCK2ROCK1DYRK1A | |
| SCHEMBL19902631 | 0.77 | HDAC8 (0.42) | PARP1ROCK2ROCK1 | |
| SCHEMBL27390382 | 0.76 | PARP1 (0.48) | PARP1 | |
| SCHEMBL19902343 | 0.75 | ALDH1A1 (0.43) | PARP1ROCK2ROCK1 | |
| SCHEMBL30944627 | 0.75 | PARP1 (0.46) | PARP1 |
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 |