Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 7/20 | 0.49 |
| ▸ | CA9 | Q16790 | 7/20 | 0.49 |
| ▸ | CA1 | P00915 | 5/20 | 0.49 |
| ▸ | CA3 | P07451 | 4/20 | 0.49 |
| ▸ | CA4 | P22748 | 4/20 | 0.49 |
| ▸ | CA7 | P43166 | 4/20 | 0.49 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.49 |
| ▸ | CA2 | P00918 | 3/20 | 0.49 |
| ▸ | CA5A | P35218 | 3/20 | 0.49 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.49 |
| ▸ | CA6 | P23280 | 3/20 | 0.49 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | SOST | Q9BQB4 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | MAOB | P27338 | 4/20 | 0.48 |
| ▸ | PGR | P06401 | 4/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL5046893 | 0.82 | CA9 (0.52) | CA12CA9CA1CA3CA4 | |
| SCHEMBL3367847 | 0.80 | CA12 (0.48) | CA12CA9CA1CA3CA4 | |
| SCHEMBL5045519 | 0.79 | PGR (0.45) | CA12CA9CA1CA3CA4 | |
| SCHEMBL3370891 | 0.78 | CA12 (0.46) | CA12CA9CA1CA3CA4 | |
| SCHEMBL3525761 | 0.78 | DRD4 (0.47) | CA12CA9CA1CA3CA4 | |
| SCHEMBL6869483 | 0.75 | ALDH1A1 (0.49) | CA12CA9CA1CA3CA4 | |
| SCHEMBL3524219 | 0.74 | ALDH1A1 (0.43) | CA12CA9CA1CA3CA4 | |
| SCHEMBL3370898 | 0.74 | ALDH1A1 (0.43) | CA12CA9CA1CA3CA4 | |
| SCHEMBL15842362 | 0.73 | PGR (0.77) | CA12CA9CA1CA3CA4 | |
| SCHEMBL6879032 | 0.72 | CYP2A6 (0.44) | CA12CA9CA1CA3CA4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1481973-B1 | HETEROCYCLE-BEARING ONIUM SALTS | WAKO PURE CHEM IND LTD (JP) | 2008-12-31 | — | — | EP | disclosed |
| EP-1481973-A1 | HETEROCYCLE-BEARING ONIUM SALTS | Wako Pure Chemical Industries, Ltd. (JP) | 2004-12-01 | — | — | EP | disclosed |