Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 6/20 | 0.47 |
| ▸ | BDKRB1 | P46663 | 1/20 | 0.45 |
| ▸ | NR1H4 | Q96RI1 | 3/20 | 0.38 |
| ▸ | HTR2A | P28223 | 3/20 | 0.38 |
| ▸ | HTR2C | P28335 | 3/20 | 0.38 |
| ▸ | HTR2B | P41595 | 3/20 | 0.38 |
| ▸ | GRM1 | Q13255 | 4/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL4711834 | 0.88 | BDKRB1 (0.49) | PARP1BDKRB1NR1H4HTR2AHTR2C | |
| SCHEMBL4714982 | 0.84 | PARP1 (0.39) | PARP1BDKRB1HTR2AHTR2CHTR2B | |
| SCHEMBL4714835 | 0.82 | BDKRB1 (0.60) | PARP1BDKRB1HTR2AHTR2CHTR2B | |
| SCHEMBL5629725 | 0.80 | PARP1 (0.46) | PARP1BDKRB1NR1H4HTR2AHTR2C | |
| SCHEMBL4715045 | 0.79 | PARP1 (0.47) | PARP1BDKRB1NR1H4HTR2AHTR2C | |
| SCHEMBL4717373 | 0.78 | BDKRB1 (0.53) | PARP1BDKRB1NR1H4HTR2AHTR2C | |
| SCHEMBL4716174 | 0.77 | BDKRB1 (0.42) | PARP1BDKRB1NR1H4HTR2AHTR2C | |
| SCHEMBL5628754 | 0.76 | BDKRB1 (0.57) | PARP1BDKRB1NR1H4HTR2AHTR2C | |
| SCHEMBL4717586 | 0.75 | BDKRB1 (0.56) | PARP1BDKRB1HTR2AHTR2CHTR2B | |
| SCHEMBL5630639 | 0.75 | BDKRB1 (0.61) | PARP1BDKRB1HTR2AHTR2CHTR2B |
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-1877401-A2 | NOVEL COMPOUNDS USEFUL FOR BRADYKININ B1 RECEPTOR ANTAGONISM | Elan Pharmaceuticals Inc. (US) | 2008-01-16 | — | — | EP | disclosed |
| WO-2006113140-A2 | NOVEL COMPOUNDS USEFUL FOR BRADYKININ B1 RECEPTOR ANTAGONISM | ELAN PHARMACEUTICALS, INC. (US) | 2006-10-26 | — | — | WO | disclosed |