Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 1/20 | 0.53 |
| ▸ | PARP1 | P09874 | 2/20 | 0.47 |
| ▸ | GRM5 | P41594 | 1/20 | 0.46 |
| ▸ | ROCK2 | O75116 | 9/20 | 0.45 |
| ▸ | LCK | P06239 | 1/20 | 0.44 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.43 |
| ▸ | ROCK1 | Q13464 | 3/20 | 0.42 |
| ▸ | PKN2 | Q16513 | 2/20 | 0.41 |
| ▸ | PRKACA | P17612 | 1/20 | 0.41 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.41 |
| ▸ | PRKG1 | Q13976 | 1/20 | 0.41 |
| ▸ | PKN1 | Q16512 | 1/20 | 0.41 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.41 |
| ▸ | CDC42BPA | Q5VT25 | 1/20 | 0.41 |
| ▸ | Q6ZSR9 | Q6ZSR9 | 1/20 | 0.41 |
| ▸ | BMP2K | Q9NSY1 | 1/20 | 0.41 |
| ▸ | CDC42BPB | Q9Y5S2 | 1/20 | 0.41 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.41 |
| ▸ | CCND1 | P24385 | 1/20 | 0.41 |
| ▸ | CCNC | P24863 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL30864268 | 1.00 | CHEK1 (0.53) | CHEK1PARP1GRM5ROCK2LCK | |
| Hydrochloric Acid SCHEMBL7004744 | 0.98 | CHEK1 (0.52) | CHEK1PARP1GRM5ROCK2LCK | |
| SCHEMBL1144706 | 0.84 | KDM4E (0.56) | PARP1GRM5ROCK2ROCK1PKN2 | |
| SCHEMBL12647220 | 0.79 | ROCK2 (0.45) | CHEK1PARP1GRM5ROCK2ROCK1 | |
| SCHEMBL1759086 | 0.79 | LCK (0.55) | CHEK1PARP1GRM5ROCK2LCK | |
| SCHEMBL12663940 | 0.79 | ROCK2 (0.45) | PARP1GRM5ROCK2ROCK1PKN2 | |
| SCHEMBL12885106 | 0.78 | PARP1 (0.46) | PARP1GRM5ROCK2ROCK1PKN2 | |
| SCHEMBL29540009 | 0.77 | F2 (0.68) | LCKF2ARHPGD | |
| SCHEMBL27522161 | 0.77 | F2 (0.68) | LCKF2ARHPGD | |
| SCHEMBL170646 | 0.77 | F2 (0.68) | LCKF2ARHPGD |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2068878-B1 | RHO KINASE INHIBITORS | AERIE PHARMACEUTICALS INC (US) | 2019-04-10 | — | — | EP | disclosed |
| EP-1355886-A1 | FUSED HETEROCYCLIC COMPOUNDS | Takeda Chemical Industries, Ltd. (JP) | 2003-10-29 | — | — | EP | disclosed |
| WO-2002062764-A9 | FUSED HETEROCYCLIC COMPOUNDS | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2002-10-10 | — | — | WO | disclosed |
| WO-2002062764-A1 | FUSED HETEROCYCLIC COMPOUNDS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2002-08-15 | — | — | WO | disclosed |