Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 4/20 | 0.48 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.48 |
| ▸ | SPHK2 | Q9NRA0 | 1/20 | 0.46 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | ANO1 | Q5XXA6 | 4/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | MMP13 | P45452 | 1/20 | 0.41 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.41 |
| ▸ | KDM1A | O60341 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL18901186 | 0.85 | ROCK2 (0.51) | ROCK2ROCK1SPHK2SPHK1ALDH1A1 | |
| SCHEMBL17790246 | 0.84 | ROCK2 (0.52) | ROCK2ROCK1SPHK2SPHK1ALDH1A1 | |
| SCHEMBL19954235 | 0.81 | ROCK2 (0.49) | ROCK2ROCK1SPHK2SPHK1ANO1 | |
| SCHEMBL18901187 | 0.80 | LOXL2 (0.55) | ROCK2ROCK1SPHK2SPHK1ALDH1A1 | |
| SCHEMBL13753635 | 0.75 | L3MBTL1 (0.58) | L3MBTL1SMN1; SMN2NPC1RAB9AALDH1A1 | |
| SCHEMBL13753614 | 0.73 | HDAC8 (0.59) | SMN1; SMN2NPC1RAB9APOLBLMNA | |
| SCHEMBL13753632 | 0.72 | TP53 (0.61) | L3MBTL1SMN1; SMN2NPC1RAB9AALDH1A1 | |
| SCHEMBL13753617 | 0.72 | TP53 (0.56) | L3MBTL1NPC1RAB9AALDH1A1ANO1 | |
| SCHEMBL20069766 | 0.72 | PRMT5 (0.45) | ROCK2ROCK1SPHK2SPHK1POLB | |
| SCHEMBL18901384 | 0.71 | ROCK2 (0.51) | ROCK2ROCK1SMN1; SMN2RAB9AALDH1A1 |
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 |