Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA7 | P43166 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | PARP1 | P09874 | 1/20 | 0.32 |
| ▸ | MAOA | P21397 | 1/20 | 0.31 |
| ▸ | MAOB | P27338 | 1/20 | 0.31 |
| ▸ | PIM1 | P11309 | 1/20 | 0.31 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.31 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.31 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.31 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.31 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.31 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.31 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | TYMS | P04818 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL855553 | 0.80 | MAOA (0.47) | CA1CA2CA7CA9PARP1 | |
| SCHEMBL17397682 | 0.67 | KDM4E (0.37) | CA1CA2CA7CA9PARP1 | |
| SCHEMBL1150797 | 0.65 | KDM4E (0.38) | CA1CA2CA7CA9PARP1 | |
| SCHEMBL28494219 | 0.65 | CA1 (0.34) | CA1CA2CA7CA9PARP1 | |
| SCHEMBL12213268 | 0.65 | CYP3A4 (0.43) | CA1CA2CA7CA9PARP1 | |
| SCHEMBL3046612 | 0.63 | AURKA (0.57) | CA1CA2CA7CA9PARP1 | |
| SCHEMBL13151641 | 0.63 | MAOA (0.32) | MAOAMAOBKDM4EALDH1A1TYMS | |
| SCHEMBL5238902 | 0.63 | MAOA (0.48) | CA1CA2CA7CA9MAOA | |
| SCHEMBL12430518 | 0.63 | MAOA (0.44) | CA1CA2CA7CA9MAOA | |
| SCHEMBL1768468 | 0.62 | AHR (0.43) | CA1CA2CA7CA9PARP1 |
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-2023044171-A1 | INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF | Pardes Biosciences, Inc. (US) | 2023-03-23 | — | — | WO | disclosed |