Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 10/20 | 0.42 |
| ▸ | CDK2 | P24941 | 2/20 | 0.40 |
| ▸ | PDE5A | O76074 | 1/20 | 0.40 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.40 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.40 |
| ▸ | CDK4 | P11802 | 1/20 | 0.40 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.40 |
| ▸ | CCND1 | P24385 | 1/20 | 0.40 |
| ▸ | CCND3 | P30281 | 1/20 | 0.40 |
| ▸ | TOP2B | Q02880 | 1/20 | 0.40 |
| ▸ | FYN | P06241 | 2/20 | 0.39 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.39 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.39 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.39 |
| ▸ | CDK9 | P50750 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | ATR | Q13535 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11353296 | 0.88 | GUSB (0.38) | CYP17A1PDE5A | |
| SCHEMBL11010059 | 0.84 | CYP17A1 (0.40) | CYP17A1PDE5APDE3BPDE3A | |
| SCHEMBL11237399 | 0.82 | PDE2A (0.51) | CYP17A1PDE5APDE3BPDE3A | |
| SCHEMBL11011297 | 0.82 | IMPDH2 (0.45) | PDE5APDE3BPDE3A | |
| SCHEMBL11237477 | 0.82 | PDE2A (0.46) | CYP17A1CDK2PDE5APDE3BPDE3A | |
| SCHEMBL11006162 | 0.81 | CDK4 (0.43) | CDK2PDE5APDE3BPDE3ACDK4 | |
| SCHEMBL11356780 | 0.81 | AMY1A (0.47) | CYP17A1PDE5APDE3BPDE3ACCNT1 | |
| SCHEMBL7272031 | 0.81 | PDE5A (0.54) | CDK2PDE5APDE3BPDE3ACDK4 | |
| SCHEMBL11228926 | 0.80 | PDE5A (0.38) | CYP17A1PDE5APDE3BPDE3A | |
| SCHEMBL10676986 | 0.78 | PDE2A (0.46) | CDK2PDE5APDE3BPDE3ACDK4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0024290-B1 | 8-PHENYL PURINES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM | Dr. Karl Thomae GmbH (DE) | 1982-12-22 | — | — | EP | disclosed |
| US-4299834-A | INOTROPIC ACTIVITY | BOEHRINGER INGELHEIM GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1981-11-10 | — | — | US | disclosed |
| EP-0024290-A1 | 8-Phenyl purines, their preparation and medicaments containing them | Dr. Karl Thomae GmbH (DE) | 1981-03-04 | — | — | EP | disclosed |