Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.41 |
| ▸ | EP300 | Q09472 | 1/20 | 0.41 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.41 |
| ▸ | KAT8 | Q9H7Z6 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.40 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.38 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.38 |
| ▸ | NEK2 | P51955 | 1/20 | 0.38 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.38 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.38 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL2679932 | 1.00 | CYP2D6 (0.43) | CYP2D6MCL1EP300KAT2BKAT8 | |
| Hydrochloric Acid SCHEMBL28101819 | 0.98 | EP300 (0.43) | CYP2D6MCL1EP300KAT2BKAT8 | |
| Acetonitrile SCHEMBL28255271 | 0.91 | EP300 (0.38) | CYP2D6MCL1EP300KAT2BKAT8 | |
| SCHEMBL2964374 | 0.84 | CHEK1 (0.39) | MCL1EP300KAT2BKAT8SIGMAR1 | |
| SCHEMBL6045799 | 0.84 | CYP2D6 (0.42) | CYP2D6SIGMAR1MAPTMEN1GAA | |
| SCHEMBL726452 | 0.83 | CA2 (0.47) | MCL1EP300KAT2BKAT8CNR2 | |
| SCHEMBL29773602 | 0.83 | CA2 (0.47) | MCL1EP300KAT2BKAT8CNR2 | |
| SCHEMBL1660887 | 0.83 | PAX8 (0.41) | MCL1EP300KAT2BKAT8SIGMAR1 | |
| SCHEMBL9283373 | 0.83 | CYP2D6 (0.43) | CYP2D6TDP1MAPTGAAKMT2A | |
| SCHEMBL5608087 | 0.83 | SIGMAR1 (0.40) | MCL1EP300KAT2BKAT8SIGMAR1 |
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-2023154916-A2 | COMPOSITIONS AND METHODS FOR TREATING INFECTIOUS DISEASES | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) | 2023-08-17 | — | — | WO | disclosed |