Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.52 |
| ▸ | TSHR | P16473 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | HPGD | P15428 | 3/20 | 0.50 |
| ▸ | GAA | P10253 | 3/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.50 |
| ▸ | POLB | P06746 | 3/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | KDM1A | O60341 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL10679952 | 0.96 | MAPK1 (0.51) | CYP1A2CYP2D6CYP2C19MAPK1TSHR | |
| SCHEMBL10682225 | 0.92 | MAPK1 (0.55) | CYP1A2CYP2D6CYP2C19MAPK1TSHR | |
| SCHEMBL11315099 | 0.88 | MAPK1 (0.67) | CYP1A2CYP2D6CYP2C19MAPK1TSHR | |
| SCHEMBL8915923 | 0.82 | MAPK1 (0.63) | CYP1A2CYP2D6CYP2C19MAPK1TSHR | |
| SCHEMBL8915242 | 0.82 | MAPK1 (0.63) | CYP1A2CYP2D6CYP2C19MAPK1TSHR | |
| SCHEMBL8915123 | 0.82 | MAPK1 (0.63) | CYP1A2CYP2D6CYP2C19MAPK1TSHR | |
| SCHEMBL8915825 | 0.82 | MAPK1 (0.63) | CYP1A2CYP2D6CYP2C19MAPK1TSHR | |
| SCHEMBL9084403 | 0.79 | MAPK1 (0.71) | CYP1A2CYP2D6CYP2C19MAPK1TSHR | |
| SCHEMBL10736716 | 0.78 | MAPK1 (0.50) | CYP2C19MAPK1TSHRALDH1A1HPGD | |
| SCHEMBL10671819 | 0.76 | TDP1 (0.51) | TSHRALDH1A1HPGDHSD17B10TDP1 |
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 |