Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE5A | O76074 | 1/20 | 0.82 |
| ▸ | ESR1 | P03372 | 1/20 | 0.82 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.82 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.82 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.76 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.76 |
| ▸ | AKT1 | P31749 | 1/20 | 0.67 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.62 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.61 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.59 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.59 |
| ▸ | MAOA | P21397 | 1/20 | 0.59 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.57 |
| ▸ | PTGES | O14684 | 1/20 | 0.57 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.57 |
| ▸ | ACHE | P22303 | 2/20 | 0.55 |
| ▸ | BCHE | P06276 | 1/20 | 0.55 |
| ▸ | PARP1 | P09874 | 1/20 | 0.53 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.53 |
| ▸ | CBS | P35520 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL20954088 | 0.92 | DYRK1A (0.73) | PDE5AESR1PDE4DESR2DYRK1A | |
| SCHEMBL29808504 | 0.90 | PDE4D (1.00) | PDE5AESR1PDE4DESR2DYRK1A | |
| SCHEMBL1231403 | 0.90 | PDE4D (1.00) | PDE5AESR1PDE4DESR2DYRK1A | |
| SCHEMBL20045165 | 0.87 | DYRK1A (1.00) | PDE5AESR1PDE4DESR2DYRK1A | |
| SCHEMBL3336163 | 0.85 | ALOX5 (0.77) | PDE5AESR1PDE4DESR2DYRK1A | |
| SCHEMBL3336171 | 0.85 | ALOX5 (0.77) | PDE5AESR1PDE4DESR2DYRK1A | |
| SCHEMBL29833892 | 0.85 | ALOX5 (0.77) | PDE5AESR1PDE4DESR2DYRK1A | |
| SCHEMBL30861674 | 0.82 | PDE5A (0.60) | PDE5AESR1PDE4DESR2DYRK1A | |
| SCHEMBL12551137 | 0.82 | PDE5A (0.83) | PDE5AESR1PDE4DESR2DYRK1A | |
| SCHEMBL3192507 | 0.82 | PDE5A (0.83) | PDE5AESR1PDE4DESR2DYRK1A |
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 |
|---|---|---|---|---|---|---|---|
| US-20120115896-A1 | ISOGENIC HUMAN CELL LINES COMPRISING MUTATED CANCER ALLELES AND PROCESS USING THE CELL LINES | BARDELLI ALBERTO (IT) | 2012-05-10 | — | — | US | disclosed |