Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 3/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.38 |
| ▸ | SQOR | Q9Y6N5 | 2/20 | 0.36 |
| ▸ | PDE3B | Q13370 | 3/20 | 0.36 |
| ▸ | PDE3A | Q14432 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | PDE5A | O76074 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | PDE4A | P27815 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.36 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.36 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.36 |
| ▸ | PKN1 | Q16512 | 1/20 | 0.36 |
| ▸ | PKN2 | Q16513 | 1/20 | 0.36 |
| ▸ | GSK3B | P49841 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL19457992 | 0.73 | CCNC (0.44) | SQORPDE3BPDE3AGSK3BXDH | |
| SCHEMBL18029245 | 0.72 | SCN9A (0.40) | PDE3BPDE3AKDM4ELMNAHPGD | |
| SCHEMBL19478196 | 0.71 | GSK3B (0.41) | SQORPDE3BPDE3AHPGDGSK3B | |
| SCHEMBL16570964 | 0.68 | XDH (0.54) | CYP11B1CYP11B2PDE3BPDE3AKDM4E | |
| SCHEMBL17540171 | 0.67 | CYP11B2 (0.55) | CYP11B1CYP11B2SQORPDE3BPDE3A | |
| SCHEMBL15564191 | 0.67 | PARP1 (0.48) | PKN1PKN2GSK3BCDC7 | |
| SCHEMBL16571132 | 0.66 | CCNC (0.39) | PDE3BPDE3AKDM4EPDE5ALMNA | |
| SCHEMBL17672886 | 0.65 | MAPK14 (0.48) | CYP11B1CYP11B2PDE3BPDE3AKDM4E | |
| SCHEMBL30087761 | 0.65 | DYRK1A (0.39) | KDM4ELMNAHPGDXDHDYRK1A | |
| SCHEMBL28600207 | 0.65 | DYRK1A (0.39) | KDM4ELMNAHPGDXDHDYRK1A |
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-3044207-A1 | INDOL-CARBOXAMIDE DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2016-07-20 | — | — | EP | disclosed |
| WO-2015036412-A1 | INDOL-CARBOXAMIDE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2015-03-19 | — | — | WO | disclosed |