Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 8/20 | 0.62 |
| ▸ | ROCK1 | Q13464 | 7/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | LMNA | P02545 | 1/20 | 0.56 |
| ▸ | NPC1 | O15118 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | GAA | P10253 | 1/20 | 0.52 |
| ▸ | PKM | P14618 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.48 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.48 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.48 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.48 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.48 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL16005920 | 1.00 | ROCK2 (0.62) | ROCK2ROCK1ALDH1A1LMNANPC1 | |
| SCHEMBL15994445 | 0.88 | NPC1 (0.60) | ROCK2ROCK1ALDH1A1LMNANPC1 | |
| SCHEMBL16005928 | 0.88 | NPC1 (0.60) | ROCK2ROCK1ALDH1A1LMNANPC1 | |
| SCHEMBL3889316 | 0.80 | ALDH1A1 (0.59) | ROCK2ROCK1ALDH1A1LMNANPC1 | |
| SCHEMBL7869047 | 0.80 | ALDH1A1 (0.59) | ROCK2ROCK1ALDH1A1LMNANPC1 | |
| SCHEMBL17439825 | 0.79 | KMT2A (0.64) | ROCK2ROCK1ALDH1A1LMNANPC1 | |
| SCHEMBL16005903 | 0.79 | NPC1 (0.56) | ROCK2ROCK1ALDH1A1LMNANPC1 | |
| SCHEMBL17439787 | 0.79 | NPC1 (0.56) | ROCK2ROCK1ALDH1A1LMNANPC1 | |
| SCHEMBL16005895 | 0.79 | KMT2A (0.64) | ROCK2ROCK1ALDH1A1LMNANPC1 | |
| SCHEMBL18685200 | 0.78 | ROCK2 (0.57) | ROCK2ROCK1ALDH1A1LMNANPC1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2961745-B1 | PHENYLPYRAZOLE DERIVATIVES AS POTENT ROCK1 AND ROCK2 INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2017-03-29 | — | — | EP | disclosed |