Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 5/20 | 0.51 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.51 |
| ▸ | MMP13 | P45452 | 2/20 | 0.44 |
| ▸ | ANO1 | Q5XXA6 | 4/20 | 0.43 |
| ▸ | SPHK2 | Q9NRA0 | 1/20 | 0.43 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.42 |
| ▸ | PPARG | P37231 | 1/20 | 0.41 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL17790246 | 0.87 | ROCK2 (0.52) | ROCK2ROCK1MMP13ANO1SPHK2 | |
| SCHEMBL18901189 | 0.85 | ROCK2 (0.48) | ROCK2ROCK1MMP13ANO1SPHK2 | |
| SCHEMBL19954235 | 0.84 | ROCK2 (0.49) | ROCK2ROCK1MMP13ANO1SPHK2 | |
| SCHEMBL18901187 | 0.83 | LOXL2 (0.55) | ROCK2ROCK1ANO1SPHK2SPHK1 | |
| SCHEMBL13753614 | 0.76 | HDAC8 (0.59) | HDAC8HDAC6KMT2ALMNAMEN1 | |
| SCHEMBL13753635 | 0.75 | L3MBTL1 (0.58) | ALDH1A1GAAKMT2AMEN1 | |
| SCHEMBL13753617 | 0.75 | TP53 (0.56) | ANO1ALDH1A1KMT2AMEN1 | |
| SCHEMBL20069766 | 0.75 | PRMT5 (0.45) | ROCK2ROCK1SPHK2SPHK1HDAC8 | |
| SCHEMBL19091134 | 0.74 | MEP1B (0.59) | NR1H4 | |
| SCHEMBL12987195 | 0.73 | FAAH (0.51) | ALDH1A1GAAHSD17B10HDAC8HDAC6 |
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-3016951-B1 | TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2017-05-31 | — | — | EP | disclosed |