Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PAK1 | Q13153 | 8/20 | 0.54 |
| ▸ | CNR1 | P21554 | 5/20 | 0.51 |
| ▸ | CNR2 | P34972 | 4/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | SUV39H1 | O43463 | 1/20 | 0.47 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.47 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.43 |
| ▸ | SLC6A12 | P48065 | 1/20 | 0.43 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.43 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.43 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.43 |
| ▸ | CDK2 | P24941 | 1/20 | 0.43 |
| ▸ | AKT1 | P31749 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL4024034 | 0.92 | PAK1 (0.55) | PAK1CNR1CNR2CYP1A2CYP2D6 | |
| SCHEMBL4017884 | 0.91 | PAK1 (0.63) | PAK1CNR1CNR2CYP1A2CYP2D6 | |
| SCHEMBL4018947 | 0.88 | MAPK1 (0.49) | CCNE1CDK2 | |
| SCHEMBL4023244 | 0.85 | CNR1 (0.57) | PAK1CNR1CNR2CYP1A2CYP2D6 | |
| SCHEMBL4018106 | 0.84 | CNR1 (0.58) | PAK1CNR1CNR2CYP1A2CYP2D6 | |
| SCHEMBL4022779 | 0.83 | CYP1A2 (0.54) | PAK1CNR1CNR2CYP1A2CYP2D6 | |
| SCHEMBL4023238 | 0.83 | CNR1 (0.51) | PAK1CNR1CNR2CYP1A2CYP2D6 | |
| SCHEMBL4024856 | 0.83 | PAK1 (0.67) | PAK1CNR1CNR2CYP1A2CYP2D6 | |
| SCHEMBL4023489 | 0.83 | CYP1A2 (0.56) | PAK1CNR1CNR2CYP1A2CYP2D6 | |
| SCHEMBL4016285 | 0.83 | CNR1 (0.58) | PAK1CNR1CNR2CYP1A2CYP2D6 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2066654-A1 | N-(1-HETARYLPIPERIDIN-4-YL)(HET)ARYLAMIDES AS EP2 RECEPTOR MODULATORS | Bayer Schering Pharma AG (DE) | 2009-06-10 | — | — | EP | claimed |
| WO-2008028691-A1 | N-(1-HETARYLPIPERIDIN-4-YL)(HET)ARYLAMIDES AS EP2 RECEPTOR MODULATORS | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2008-03-13 | — | — | WO | claimed |