Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 2/20 | 0.54 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.54 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.53 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.53 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.53 |
| ▸ | BLM | P54132 | 1/20 | 0.51 |
| ▸ | CASP1 | P29466 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | PPARG | P37231 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6680491 | 1.00 | ADRB2 (0.54) | ADRB2ADRB1AOC3CYP2D6NFKB1 | |
| SCHEMBL23347622 | 0.94 | ADRB2 (0.53) | ADRB2ADRB1AOC3CYP2D6NFKB1 | |
| SCHEMBL6062586 | 0.93 | ADRB2 (0.51) | ADRB2ADRB1AOC3CYP2D6NFKB1 | |
| SCHEMBL5693670 | 0.90 | ADRB2 (0.56) | ADRB2ADRB1AOC3CYP2D6NFKB1 | |
| SCHEMBL8216569 | 0.86 | ALDH1A1 (0.46) | CYP3A4KDM4EALDH1A1PPARG | |
| SCHEMBL252875 | 0.84 | ADRB2 (0.42) | ADRB2ADRB1AOC3CYP2D6NFKB1 | |
| SCHEMBL29528757 | 0.84 | ADRB2 (0.42) | ADRB2ADRB1AOC3CYP2D6NFKB1 | |
| SCHEMBL253329 | 0.84 | ADRB2 (0.42) | ADRB2ADRB1AOC3CYP2D6NFKB1 | |
| SCHEMBL253330 | 0.84 | ADRB2 (0.42) | ADRB2ADRB1AOC3CYP2D6NFKB1 | |
| SCHEMBL29527977 | 0.84 | ADRB2 (0.42) | ADRB2ADRB1AOC3CYP2D6NFKB1 |
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-9828345-B2 | Phenylpyrazole derivatives as potent ROCK1 and ROCK2 inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2017-11-28 | — | — | US | disclosed |