Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.57 |
| ▸ | HPGD | P15428 | 1/20 | 0.57 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.56 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.56 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.54 |
| ▸ | NPC1 | O15118 | 3/20 | 0.54 |
| ▸ | RAB9A | P51151 | 2/20 | 0.54 |
| ▸ | GAA | P10253 | 1/20 | 0.53 |
| ▸ | PKM | P14618 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL27946378 | 0.83 | ROCK1 (0.66) | L3MBTL1ROCK2ROCK1CYP3A4CYP2C9 | |
| SCHEMBL19658729 | 0.81 | CA1 (0.54) | ALDH1A1HPGDL3MBTL1ROCK2ROCK1 | |
| SCHEMBL11231448 | 0.80 | SMN1; SMN2 (0.55) | ALDH1A1HPGDROCK2ROCK1KMT2A | |
| SCHEMBL19652078 | 0.80 | CA1 (0.53) | ALDH1A1HPGDL3MBTL1ROCK2ROCK1 | |
| SCHEMBL28196333 | 0.79 | HPGD (0.76) | ALDH1A1HPGDL3MBTL1KMT2ANPC1 | |
| SCHEMBL28049266 | 0.79 | NPC1 (0.58) | ALDH1A1ROCK2ROCK1CYP1A2CYP3A4 | |
| SCHEMBL10282632 | 0.79 | CA1 (0.51) | ALDH1A1HPGDL3MBTL1ROCK2ROCK1 | |
| SCHEMBL1825887 | 0.78 | ALDH1A1 (0.47) | ALDH1A1HPGDCYP2C9CYP2C19KMT2A | |
| SCHEMBL19658746 | 0.77 | SMN1; SMN2 (0.56) | ALDH1A1HPGDL3MBTL1KMT2AMEN1 | |
| SCHEMBL24998749 | 0.77 | MLYCD (0.58) | ALDH1A1HPGDCYP1A2CYP2C19KMT2A |
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 |