Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM5A | P29375 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | SCD5 | Q86SK9 | 7/20 | 0.40 |
| ▸ | SCD | O00767 | 3/20 | 0.40 |
| ▸ | GSK3A | P49840 | 1/20 | 0.39 |
| ▸ | GSK3B | P49841 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL30007560 | 0.91 | CA12 (0.43) | KDM5ACA12CA1CA2CA7 | |
| SCHEMBL30007554 | 0.85 | AVPR1A (0.47) | CA12CA1CA2CA7CA9 | |
| SCHEMBL30007902 | 0.79 | GSK3A (0.46) | GSK3AGSK3BPRKAB2PRKAG1PRKAA2 | |
| SCHEMBL30007369 | 0.75 | DRD2 (0.47) | ALDH1A1 | |
| SCHEMBL30007830 | 0.75 | DYRK1A (0.45) | GSK3AGSK3BLMNAMAPTROCK2 | |
| SCHEMBL30007265 | 0.75 | AVPR1A (0.49) | CA12CA1CA2CA7CA9 | |
| SCHEMBL30007741 | 0.72 | CA12 (0.44) | CA12CA1CA2CA7CA9 | |
| SCHEMBL30007804 | 0.70 | ALDH1A1 (0.46) | ALDH1A1 | |
| SCHEMBL29253947 | 0.69 | GSK3A (0.48) | GSK3AGSK3B | |
| SCHEMBL30007692 | 0.68 | GSK3A (0.51) | GSK3AGSK3BKCNH2PRKAG1PRKAA1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022237922-A1 | ANTITUMOR COMPOUNDS BASED ON NITROGEN HETEROCYCLES AND USE THEREOF AS MEDICAMENTS | FAKULTNI NEMOCNICE HRADEC KRALOVE (CZ) | 2022-11-17 | — | — | WO | disclosed |