Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GBA1 | P04062 | 2/20 | 0.47 |
| ▸ | EGFR | P00533 | 1/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.46 |
| ▸ | KCNN3 | Q9UGI6 | 1/20 | 0.46 |
| ▸ | FADS1 | O60427 | 1/20 | 0.45 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.44 |
| ▸ | GLP1R | P43220 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | AURKA | O14965 | 1/20 | 0.42 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | PFKFB3 | Q16875 | 1/20 | 0.42 |
| ▸ | CDK1 | P06493 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 2/20 | 0.39 |
| ▸ | MAOB | P27338 | 2/20 | 0.39 |
| ▸ | BCHE | P06276 | 1/20 | 0.39 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2904940 | 1.00 | GBA1 (0.47) | GBA1EGFRHDAC6KCNN3FADS1 | |
| SCHEMBL2906027 | 0.84 | GBA1 (0.45) | GBA1EGFRHDAC6KCNN3FADS1 | |
| SCHEMBL2904936 | 0.82 | AURKA (0.56) | GBA1EGFRHDAC6KCNN3FADS1 | |
| SCHEMBL2905955 | 0.81 | GBA1 (0.45) | GBA1EGFRHDAC6KCNN3FADS1 | |
| SCHEMBL2905882 | 0.79 | PRKCQ (0.48) | GBA1EGFRHDAC6KCNN3FADS1 | |
| SCHEMBL2905886 | 0.79 | PRKCQ (0.48) | GBA1EGFRHDAC6KCNN3FADS1 | |
| SCHEMBL27780844 | 0.78 | GBA1 (0.50) | GBA1EGFRHDAC6KCNN3FADS1 | |
| SCHEMBL27798458 | 0.77 | EGFR (0.45) | GBA1EGFRHDAC6KCNN3FADS1 | |
| SCHEMBL2905970 | 0.77 | GBA1 (0.44) | GBA1EGFRHDAC6KCNN3FADS1 | |
| SCHEMBL2248187 | 0.76 | GBA1 (0.48) | GBA1EGFRHDAC6KCNN3FADS1 |
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-2099763-B1 | 2-AMINOQUINOLINES AS 5-HT(5A) RECEPTOR ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2010-08-11 | — | — | EP | disclosed |