Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 3/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.39 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.38 |
| ▸ | APAF1 | O14727 | 1/20 | 0.34 |
| ▸ | G6PD | P11413 | 1/20 | 0.34 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.34 |
| ▸ | NOS1 | P29475 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL22631683 | 0.84 | PDE10A (0.36) | ADORA2AADORA1PDE10ACYP3A4CYP2E1 | |
| SCHEMBL13680759 | 0.76 | BACE1 (0.49) | ADORA2AADORA1PDE10ACYP3A4CYP2E1 | |
| SCHEMBL14558238 | 0.75 | APAF1 (0.43) | APAF1G6PDMCL1ESR2KDM4E | |
| SCHEMBL13680758 | 0.73 | DYRK1A (0.43) | PDE10ACYP3A4CYP2E1CYP2A6CYP2C9 | |
| SCHEMBL13680760 | 0.73 | PDE10A (0.39) | PDE10ACYP3A4CYP2E1CYP2A6CYP2C9 | |
| SCHEMBL13681045 | 0.73 | APAF1 (0.33) | APAF1G6PDMCL1ESR2SMN1; SMN2 | |
| SCHEMBL13681281 | 0.72 | LOXL2 (0.41) | ADORA2AADORA1PDE10ACYP3A4CYP2E1 | |
| SCHEMBL13680739 | 0.70 | ADORA2A (0.49) | ADORA2AADORA1PDE10ACYP3A4CYP2E1 | |
| SCHEMBL770846 | 0.69 | — | — | |
| SCHEMBL13680698 | 0.69 | CCR1 (0.47) | CYP2A6APAF1G6PDMCL1ESR2 |
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 |
|---|---|---|---|---|---|---|---|
| US-7582658-B2 | Bicyclic compound | ASAHI KASEI PHARMA CORPORATION (JP) | 2009-09-01 | — | — | US | disclosed |
| US-7582658-B2 | Bicyclic compound | ASAHI KASEI PHARMA CORPORATION (JP) | 2009-09-01 | — | — | US | disclosed |