Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BDKRB1 | P46663 | 6/20 | 0.53 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.53 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | HPGD | P15428 | 2/20 | 0.51 |
| ▸ | USP2 | O75604 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.48 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.47 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.47 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.47 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.47 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.47 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL3109493 | 0.80 | BDKRB1 (0.61) | BDKRB1SLC6A3SLC6A4ALDH1A1SLC6A2 | |
| SCHEMBL2782748 | 0.80 | CHRNB2 (0.59) | BDKRB1SLC6A3SLC6A4SMN1; SMN2NPC1 | |
| SCHEMBL5782374 | 0.79 | BDKRB1 (0.60) | BDKRB1SLC6A3SLC6A4ALDH1A1SLC6A2 | |
| SCHEMBL5061628 | 0.79 | SLC6A3 (0.61) | BDKRB1SLC6A3SLC6A4ALDH1A1SMN1; SMN2 | |
| SCHEMBL5924515 | 0.79 | SLC6A3 (0.55) | BDKRB1SLC6A3SLC6A4ALDH1A1SLC6A2 | |
| SCHEMBL5783245 | 0.78 | BDKRB1 (0.68) | BDKRB1SLC6A3SLC6A4ALDH1A1SLC6A2 | |
| SCHEMBL29979869 | 0.78 | SLC6A3 (0.69) | BDKRB1SLC6A3SLC6A4SLC6A2LTB4R2 | |
| SCHEMBL3112718 | 0.78 | SLC6A3 (0.69) | BDKRB1SLC6A3SLC6A4SLC6A2LTB4R2 | |
| SCHEMBL14326964 | 0.78 | SLC6A3 (0.69) | BDKRB1SLC6A3SLC6A4SLC6A2LTB4R2 | |
| SCHEMBL8872163 | 0.78 | BDKRB1 (0.70) | BDKRB1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1706372-B1 | ALPHA-HYDROXY AMIDES AS BRADYKININ ANTAGONISTS OR INVERSE AGONISTS | MERCK SHARP & DOHME (US) | 2010-05-19 | — | — | EP | disclosed |