Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL10680440 | 1.00 | CASP1 (0.38) | CASP1CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL10678653 | 0.81 | KDM4E (0.30) | CYP2D6 | |
| SCHEMBL10678650 | 0.81 | KDM4E (0.30) | CYP2D6 | |
| SCHEMBL19168536 | 0.73 | EPHX1 (0.42) | — | |
| SCHEMBL18665149 | 0.71 | MEN1 (0.43) | — | |
| SCHEMBL10680458 | 0.70 | CASP1 (0.39) | CASP1 | |
| SCHEMBL21928691 | 0.70 | KDM1A (0.39) | — | |
| SCHEMBL23419210 | 0.67 | KDM1A (0.37) | — | |
| SCHEMBL19161160 | 0.67 | KDM1A (0.37) | — | |
| SCHEMBL20920544 | 0.67 | KDM1A (0.37) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4762932-A | Haloguanidine intermediates | IMPERIAL CHEMICAL INDUSTRIES, LTD. (GB) | 1988-08-09 | — | — | US | disclosed |
| US-4604465-A | Haloguanidine intermediates | ICI AMERICAS, INC. (US) | 1986-08-05 | — | — | US | disclosed |
| EP-0030092-B1 | GUANIDINE DERIVATIVES, PROCESSES FOR THEIR MANUFACTURE AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1985-02-06 | — | — | EP | disclosed |
| US-4362728-A | Haloguanidine compounds, pharmaceutical compositions and methods of use | ICI AMERICAS INC. (US) | 1982-12-07 | — | — | US | disclosed |
| EP-0030092-A1 | Guanidine derivatives, processes for their manufacture and pharmaceutical compositions containing them | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1981-06-10 | — | — | EP | disclosed |