Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDPK1 | O15530 | 1/20 | 0.55 |
| ▸ | HTR2C | P28335 | 6/20 | 0.45 |
| ▸ | PLK4 | O00444 | 3/20 | 0.41 |
| ▸ | PAK4 | O96013 | 3/20 | 0.41 |
| ▸ | MAP2K7 | O14733 | 1/20 | 0.39 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.39 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.39 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.39 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 5/20 | 0.38 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.37 |
| ▸ | AURKA | O14965 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL130812 | 0.83 | PDPK1 (0.53) | PDPK1HTR2CPLK4PAK4HTR2A | |
| SCHEMBL13828306 | 0.81 | HTR2C (0.65) | PDPK1HTR2CPLK4PAK4HTR2A | |
| SCHEMBL12963988 | 0.80 | USP2 (0.39) | PDPK1HTR2CPLK4PAK4PIK3CD | |
| SCHEMBL31706902 | 0.79 | PDPK1 (0.58) | PDPK1HTR2CPLK4PAK4HTR2A | |
| SCHEMBL130504 | 0.79 | PLK4 (0.57) | PDPK1HTR2CPLK4PAK4HTR2A | |
| SCHEMBL130797 | 0.79 | PDPK1 (0.53) | PDPK1HTR2CPLK4PAK4HTR2A | |
| SCHEMBL129637 | 0.79 | PDPK1 (0.58) | PDPK1HTR2CPLK4PAK4HTR2A | |
| SCHEMBL7888421 | 0.78 | CHEK1 (0.40) | PDPK1HTR2CPLK4PAK4PIK3CD | |
| SCHEMBL13828362 | 0.77 | HTR2C (0.62) | PDPK1HTR2CPLK4PAK4HTR2A | |
| SCHEMBL14445017 | 0.75 | NPSR1 (0.43) | HTR2CPLK4PAK4HTR2AALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022002118-A1 | FUSED-RING HETEROCYCLE DERIVATIVE AND MEDICAL USE THEREOF | 四川海思科制药有限公司 | 2022-01-06 | — | — | WO | disclosed |
| US-8669081-B2 | Compositions useful as inhibitors of protein kinases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-03-11 | — | — | US | disclosed |
| US-20070190634-A1 | Compositions useful as inhibitors of protein kinases | VERTEX PHARMACEUTICALS INCORPORATED | 2007-08-16 | — | — | US | disclosed |