Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX3 | P56373 | 7/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.31 |
| ▸ | DPP4 | P27487 | 3/20 | 0.31 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | PDE4A | P27815 | 2/20 | 0.31 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.31 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.31 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.31 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.30 |
| ▸ | CDK2 | P24941 | 1/20 | 0.30 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.30 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1722176 | 0.97 | P2RX3 (0.33) | P2RX3ALDH1A1KDM4EGLAGAA | |
| SCHEMBL1710193 | 0.83 | CCNA2 (0.30) | CCNA2CDK2CCNA1CDK5CDK5R1 | |
| SCHEMBL1710219 | 0.78 | MBOAT4 (0.37) | NPC1RAB9AKDM4CPDE4APDE4B | |
| SCHEMBL1710353 | 0.77 | NPC1 (0.39) | P2RX3NPC1RAB9AKDM4CPDE4A | |
| SCHEMBL1710329 | 0.74 | KDM4E (0.32) | ALDH1A1KDM4EGLAGAAHPGD | |
| SCHEMBL1710200 | 0.73 | NPC1 (0.41) | P2RX3NPC1RAB9AKDM4CPDE4A | |
| SCHEMBL1710191 | 0.69 | — | — | |
| SCHEMBL1710278 | 0.69 | NPC1 (0.38) | P2RX3NPC1RAB9AKDM4CPDE4A | |
| SCHEMBL1722853 | 0.68 | BDKRB2 (0.48) | CYP3A4 | |
| SCHEMBL1710178 | 0.68 | KDM4E (0.40) | ALDH1A1KDM4EGAAHPGDNPBWR1 |
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-2344477-A1 | SMALL MOLECULE BRADYKININ B2 RECEPTOR MODULATORS | Jerini AG (DE) | 2011-07-20 | — | — | EP | disclosed |
| WO-2010031589-A1 | SMALL MOLECULE BRADYKININ B2 RECEPTOR MODULATORS | JERINI AG (DE) | 2010-03-25 | — | — | WO | disclosed |