Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.35 |
| ▸ | RELA | Q04206 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | NAALAD2 | Q9Y3Q0 | 1/20 | 0.34 |
| ▸ | AR | P10275 | 1/20 | 0.33 |
| ▸ | CTSL | P07711 | 1/20 | 0.32 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | ITGAV | P06756 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2787725 | 0.86 | MAPK1 (0.33) | HCAR2TP53MAPK1USP2ALDH1A1 | |
| SCHEMBL2790368 | 0.82 | HCAR2 (0.37) | HCAR2MAPK1SMN1; SMN2NAALAD2CTSL | |
| SCHEMBL9829642 | 0.81 | POLB (0.50) | TP53MAPK1ALDH1A1ALOX15NPC1 | |
| SCHEMBL9829639 | 0.81 | POLB (0.50) | TP53MAPK1ALDH1A1ALOX15NPC1 | |
| SCHEMBL9830749 | 0.79 | NPC1 (0.44) | TP53MAPK1ALDH1A1NPC1HPGD | |
| SCHEMBL9830746 | 0.79 | NPC1 (0.44) | TP53MAPK1ALDH1A1NPC1HPGD | |
| SCHEMBL2787521 | 0.77 | HCAR2 (0.38) | HCAR2MAPK1ALDH1A1SMN1; SMN2CTSL | |
| SCHEMBL2789018 | 0.77 | HCAR2 (0.38) | HCAR2MAPK1ALDH1A1SMN1; SMN2CTSL | |
| SCHEMBL2787762 | 0.77 | HCAR2 (0.38) | HCAR2MAPK1ALDH1A1SMN1; SMN2CTSL | |
| SCHEMBL2787729 | 0.74 | HCAR2 (0.35) | HCAR2TP53MAPK1USP2ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010097374-A1 | COMPOUNDS FOR USE AS BRADYKININ B1 ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-09-02 | — | — | WO | disclosed |