Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.50 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.47 |
| ▸ | DDAH1 | O94760 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 4/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | SRC | P12931 | 1/20 | 0.35 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.35 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL22118823 | 0.83 | KDM4E (0.42) | TNKS2ADORA3ALDH1A1HTTADORA2A | |
| SCHEMBL7420122 | 0.81 | CACNA1H (0.37) | TNKS2ADORA3ALDH1A1GAAADORA2A | |
| SCHEMBL7422513 | 0.79 | ADORA3 (0.33) | TNKS2ADORA3GAAKDM4E | |
| SCHEMBL22118927 | 0.77 | ADORA3 (0.33) | TNKS2ADORA3GAAKDM4ENPC1 | |
| SCHEMBL14281548 | 0.77 | PARP1 (0.46) | TNKS2ADORA3ALDH1A1GLAGAA | |
| SCHEMBL7416792 | 0.74 | KDM4E (0.32) | ALDH1A1KDM4EPARP1KDM4CSMN1; SMN2 | |
| SCHEMBL22119325 | 0.74 | CYP1A2 (0.32) | L3MBTL1KDM4E | |
| SCHEMBL19236511 | 0.73 | MITF (0.47) | TP53ALDH1A1GLAKDM4EMAPT | |
| SCHEMBL7350550 | 0.72 | KMT2A (0.40) | ADORA3GAAACVR1KDM4CMAPT | |
| SCHEMBL7348346 | 0.72 | PNP (0.47) | ADORA3ALDH1A1GLAHTTKDM4E |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0977756-A1 | PYRAZOLOPYRIMIDINONES WHICH INHIBIT TYPE 5 CYCLIC GUANOSINE 3',5'-MONOPHOSPHATE PHOSPHODIESTERASE (cGMP PDE5) FOR THE TREATMENT OF SEXUAL DYSFUNCTION | Pfizer Limited (GB) | 2000-02-09 | — | — | EP | disclosed |
| WO-1998049166-A1 | PYRAZOLOPYRIMIDINONES WHICH INHIBIT TYPE 5 CYCLIC GUANOSINE 3',5'-MONOPHOSPHATE PHOSPHODIESTERASE (cGMP PDE5) FOR THE TREATMENT OF SEXUAL DYSFUNCTION | PFIZER LIMITED (GB) | 1998-11-05 | — | — | WO | disclosed |