Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.55 |
| ▸ | MEN1 | O00255 | 3/20 | 0.55 |
| ▸ | ROCK2 | O75116 | 6/20 | 0.54 |
| ▸ | ROCK1 | Q13464 | 6/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | LMNA | P02545 | 3/20 | 0.50 |
| ▸ | PPARG | P37231 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL28049232 | 0.86 | ROCK2 (0.57) | NPC1KMT2AMEN1ROCK2ROCK1 | |
| SCHEMBL25375819 | 0.84 | GAA (0.50) | NPC1KMT2AMEN1ROCK2ROCK1 | |
| SCHEMBL31398654 | 0.84 | LMNA (0.53) | NPC1ROCK2ROCK1SMN1; SMN2ALDH1A1 | |
| SCHEMBL3110341 | 0.83 | ROCK1 (0.67) | ROCK2ROCK1PPARGCYP3A4CYP2D6 | |
| SCHEMBL11231448 | 0.81 | SMN1; SMN2 (0.55) | NPC1KMT2AMEN1ROCK2ROCK1 | |
| SCHEMBL19658634 | 0.81 | L3MBTL1 (0.50) | KMT2AMEN1ROCK2ROCK1ALDH1A1 | |
| SCHEMBL28627369 | 0.80 | TGM2 (0.48) | NPC1KMT2AMEN1ROCK2ROCK1 | |
| SCHEMBL19652063 | 0.79 | MEN1 (0.50) | KMT2AMEN1ROCK2ROCK1SMN1; SMN2 | |
| SCHEMBL28049233 | 0.79 | ALDH1A1 (0.57) | NPC1KMT2AMEN1ROCK2ROCK1 | |
| SCHEMBL31385183 | 0.78 | ADORA2A (0.48) | KMT2AMEN1ROCK2ROCK1PPARG |
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 |
|---|---|---|---|---|---|---|---|
| CN-105358547-A | Phenylpyrazole derivatives as potent rock1 and rock2 inhibitors | BRISTOL MYERS SQUIBB CO | 2016-02-24 | — | — | CN | disclosed |