Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | ALDH2 | P05091 | 3/20 | 0.47 |
| ▸ | ALDH3A1 | P30838 | 3/20 | 0.47 |
| ▸ | CUL4A | Q13619 | 1/20 | 0.46 |
| ▸ | CES1 | P23141 | 7/20 | 0.45 |
| ▸ | ACHE | P22303 | 2/20 | 0.44 |
| ▸ | BCHE | P06276 | 2/20 | 0.42 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.41 |
| ▸ | RXRA | P19793 | 1/20 | 0.39 |
| ▸ | PARK7 | Q99497 | 1/20 | 0.39 |
| ▸ | CDC25A | P30304 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28417115 | 0.81 | ALDH1A1 (0.57) | ALDH1A1ALDH2ALDH3A1CUL4ACES1 | |
| SCHEMBL28026697 | 0.80 | PARK7 (0.53) | ALDH1A1ALDH2ALDH3A1CUL4ACES1 | |
| SCHEMBL16064931 | 0.79 | ALDH1A1 (0.47) | ALDH1A1ALDH2ALDH3A1CUL4ACES1 | |
| SCHEMBL16075218 | 0.79 | ALDH1A1 (0.47) | ALDH1A1ALDH2ALDH3A1CUL4ACES1 | |
| SCHEMBL28417285 | 0.78 | CES1 (0.65) | ALDH1A1ALDH2ALDH3A1CUL4ACES1 | |
| SCHEMBL16075217 | 0.77 | TERT (0.54) | ALDH1A1ALDH2ALDH3A1CUL4ACES1 | |
| SCHEMBL6176718 | 0.77 | ALDH1A1 (0.45) | ALDH1A1ALDH2ALDH3A1CUL4ACES1 | |
| SCHEMBL28417105 | 0.75 | CES1 (0.47) | ALDH1A1ALDH2ALDH3A1CUL4ACES1 | |
| SCHEMBL29704375 | 0.74 | CES1 (0.55) | ALDH1A1ALDH2ALDH3A1CUL4ACES1 | |
| SCHEMBL753100 | 0.74 | CES1 (0.55) | ALDH1A1ALDH2ALDH3A1CUL4ACES1 |
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-2014140075-A1 | SUBSTITUTED 2-AZA-BICYCLO[2.2.1]HEPTANE-3-CARBOXYLIC ACID (BENZYL-CYANO-METHYL)-AMIDES INHIBITORS OF CATHEPSIN C | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-09-18 | — | — | WO | disclosed |