Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 10/20 | 0.41 |
| ▸ | CA12 | O43570 | 9/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.41 |
| ▸ | GLA | P06280 | 5/20 | 0.41 |
| ▸ | GAA | P10253 | 4/20 | 0.41 |
| ▸ | HPGD | P15428 | 4/20 | 0.41 |
| ▸ | CA1 | P00915 | 4/20 | 0.41 |
| ▸ | AKR1B1 | P15121 | 3/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | CASP1 | P29466 | 2/20 | 0.41 |
| ▸ | CASP7 | P55210 | 2/20 | 0.41 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.41 |
| ▸ | ERAP1 | Q9NZ08 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL6875856 | 0.80 | GLA (0.44) | CA9CA12KDM4EALDH1A1GLA | |
| SCHEMBL5040810 | 0.77 | CA12 (0.59) | CA9CA12KDM4EALDH1A1GLA | |
| Trifluoromethanesulfonic Acid SCHEMBL5114458 | 0.75 | GLA (0.50) | CA9CA12KDM4EALDH1A1GLA | |
| Bromide SCHEMBL6878726 | 0.75 | CA12 (0.57) | CA9CA12KDM4EALDH1A1GLA | |
| SCHEMBL3367834 | 0.74 | CA9 (0.39) | CA9CA12KDM4EALDH1A1GLA | |
| SCHEMBL3521814 | 0.74 | CA9 (0.39) | CA9CA12KDM4EALDH1A1GLA | |
| SCHEMBL5044188 | 0.73 | ESR1 (0.41) | THRBKDM4EALDH1A1CA1ERAP1 | |
| SCHEMBL3370905 | 0.72 | KDM4E (0.39) | CA9CA12KDM4EALDH1A1GLA | |
| SCHEMBL3367831 | 0.72 | KDM4E (0.39) | CA9CA12KDM4EALDH1A1GLA | |
| Perchlorate SCHEMBL5046259 | 0.71 | CA12 (0.53) | CA9CA12KDM4EALDH1A1GLA |
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-1481973-A1 | HETEROCYCLE-BEARING ONIUM SALTS | Wako Pure Chemical Industries, Ltd. (JP) | 2004-12-01 | — | — | EP | disclosed |