Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 4/20 | 0.48 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.38 |
| ▸ | PDE4A | P27815 | 2/20 | 0.38 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.38 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.38 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 3/20 | 0.35 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.35 |
| ▸ | FEN1 | P39748 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.35 |
| ▸ | PGR | P06401 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28751616 | 0.74 | F7 (0.39) | PTGS1MEN1KMT2ATSHRALDH1A1 | |
| SCHEMBL3786215 | 0.69 | BACE1 (0.57) | BACE1ADORA3ADORA2AADORA1PDE4A | |
| SCHEMBL8515697 | 0.69 | BACE1 (0.57) | BACE1ADORA3ADORA2AADORA1PDE4A | |
| SCHEMBL27899305 | 0.68 | BACE1 (0.55) | BACE1ADORA3ADORA2AADORA1PDE4A | |
| SCHEMBL27999560 | 0.67 | BACE1 (0.58) | BACE1ADORA3ADORA2AADORA1PDE4A | |
| SCHEMBL8676657 | 0.67 | MAPK1 (0.60) | BACE1ADORA3ADORA2AADORA1PDE4A | |
| SCHEMBL29113861 | 0.67 | BACE1 (0.73) | BACE1ADORA3ADORA2AADORA1PDE4A | |
| SCHEMBL28033283 | 0.66 | BACE1 (0.57) | BACE1ADORA3ADORA2AADORA1PDE4A | |
| SCHEMBL1358288 | 0.66 | KDM4E (0.63) | BACE1ADORA3ADORA2AADORA1PDE4A | |
| SCHEMBL27832461 | 0.66 | BACE1 (0.53) | BACE1ADORA3ADORA2AADORA1PDE4A |
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 |
|---|---|---|---|---|---|---|---|
| CN-1630633-A | N-biphenylmethylaminocycloalkane carboxamide derivatives with substituents on the methyl group thereof as bradykinin antagonists | MERCK & CO INC (US) | 2005-06-22 | — | — | CN | disclosed |