Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 3/20 | 0.34 |
| ▸ | CA6 | P23280 | 3/20 | 0.34 |
| ▸ | CA7 | P43166 | 3/20 | 0.34 |
| ▸ | CA9 | Q16790 | 3/20 | 0.34 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.34 |
| ▸ | CA5B | Q9Y2D0 | 3/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | CA3 | P07451 | 2/20 | 0.33 |
| ▸ | CA4 | P22748 | 2/20 | 0.33 |
| ▸ | CA5A | P35218 | 2/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL23436536 | 0.87 | CYP2C9 (0.31) | CYP2C9CYP2C19 | |
| SCHEMBL22837292 | 0.86 | CYP2C9 (0.31) | CYP2C9CYP2C19 | |
| SCHEMBL23194161 | 0.84 | CYP2C9 (0.31) | CYP2C9CYP2C19 | |
| SCHEMBL18468257 | 0.82 | CYP2C9 (0.36) | CYP2C9CYP2C19 | |
| SCHEMBL18888308 | 0.81 | CYP2C9 (0.41) | CYP2C9CYP2C19CA12CA6CA7 | |
| SCHEMBL22732400 | 0.81 | CYP2C19 (0.54) | CYP2C9CYP2C19CA12CA6CA7 | |
| SCHEMBL19624686 | 0.81 | CYP2C19 (0.54) | CYP2C9CYP2C19CA12CA6CA7 | |
| SCHEMBL23489825 | 0.81 | CYP2C19 (0.54) | CYP2C9CYP2C19CA12CA6CA7 | |
| SCHEMBL22732658 | 0.81 | CYP2C19 (0.54) | CYP2C9CYP2C19CA12CA6CA7 | |
| SCHEMBL21897889 | 0.81 | CYP2C19 (0.54) | CYP2C9CYP2C19CA12CA6CA7 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2651992-B1 | METHOD FOR USE OF WATER WITH SWITCHABLE IONIC STRENGTH | UNIV KINGSTON (CA) | 2020-01-22 | — | — | EP | disclosed |