Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE5A | O76074 | 9/20 | 0.46 |
| ▸ | PARP1 | P09874 | 3/20 | 0.40 |
| ▸ | MMP13 | P45452 | 1/20 | 0.39 |
| ▸ | XDH | P47989 | 1/20 | 0.38 |
| ▸ | PNP | P00491 | 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 | |
|---|---|---|---|---|
| SCHEMBL11233557 | 0.90 | PDE5A (0.40) | PDE5APARP1XDHPNP | |
| SCHEMBL6708585 | 0.82 | CDK4 (0.52) | PDE5APARP1MMP13 | |
| SCHEMBL17265594 | 0.76 | MMP13 (0.49) | PDE5APARP1MMP13 | |
| SCHEMBL11400581 | 0.75 | PDE2A (0.45) | PNP | |
| SCHEMBL11274435 | 0.74 | XDH (0.55) | PARP1XDH | |
| SCHEMBL14537118 | 0.72 | — | — | |
| SCHEMBL24709355 | 0.71 | CHRNB2 (0.45) | XDHPNP | |
| SCHEMBL12820926 | 0.71 | TYMS (0.44) | XDHPNP | |
| SCHEMBL4926235 | 0.70 | ALDH1A1 (0.53) | PDE5AMMP13 | |
| SCHEMBL17292789 | 0.70 | DAPK3 (0.54) | PDE5APARP1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4315932-A | AND SULFANILAMIDES | BURROUGHS WELLCOME CO. (US) | 1982-02-16 | — | — | US | disclosed |
| EP-0000541-B1 | 1H-PYRIMIDO-(4,5-C)-1,2-DIAZEPINES, METHODS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM; THEIR USE AS INTERMEDIATES FOR HETEROCYCLIC TRANSFORMATIONS. | THE WELLCOME FOUNDATION LIMITED (GB) | 1982-02-03 | — | — | EP | disclosed |
| US-4288365-A | 1H-PYRIMIDO(4,5-C)-1,2-DIAZEPINES | BURROUGHS WELLCOME CO. (US) | 1981-09-08 | — | — | US | disclosed |
| US-4260758-A | MICROBIOCIDES | BURROUGHS WELLCOME CO. (US) | 1981-04-07 | — | — | US | disclosed |
| US-4237289-A | MICROBIOCIDES | BURROUGHS WELLCOME CO. (US) | 1980-12-02 | — | — | US | disclosed |
| EP-0000541-A2 | 1H-Pyrimido-(4,5-c)-1,2-diazepines, methods for their preparation and compositions containing them; their use as intermediates for heterocyclic transformations. | THE WELLCOME FOUNDATION LIMITED (GB) | 1979-02-07 | — | — | EP | disclosed |