Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 5/20 | 0.87 |
| ▸ | HDAC4 | P56524 | 5/20 | 0.87 |
| ▸ | HDAC1 | Q13547 | 5/20 | 0.87 |
| ▸ | HDAC7 | Q8WUI4 | 5/20 | 0.87 |
| ▸ | HDAC2 | Q92769 | 5/20 | 0.87 |
| ▸ | HDAC10 | Q969S8 | 5/20 | 0.87 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.87 |
| ▸ | HDAC8 | Q9BY41 | 5/20 | 0.87 |
| ▸ | HDAC6 | Q9UBN7 | 5/20 | 0.87 |
| ▸ | HDAC9 | Q9UKV0 | 5/20 | 0.87 |
| ▸ | HDAC5 | Q9UQL6 | 5/20 | 0.87 |
| ▸ | ABL1 | P00519 | 9/20 | 0.84 |
| ▸ | SRC | P12931 | 8/20 | 0.84 |
| ▸ | LCK | P06239 | 5/20 | 0.84 |
| ▸ | PKMYT1 | Q99640 | 3/20 | 0.84 |
| ▸ | EPHB6 | O15197 | 2/20 | 0.84 |
| ▸ | EGFR | P00533 | 2/20 | 0.84 |
| ▸ | FYN | P06241 | 2/20 | 0.84 |
| ▸ | CSF1R | P07333 | 2/20 | 0.84 |
| ▸ | YES1 | P07947 | 2/20 | 0.84 |
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 | |
|---|---|---|---|---|
| SCHEMBL25243991 | 1.00 | HDAC3 (0.87) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL25208971 | 0.98 | HDAC3 (0.87) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL30429404 | 0.98 | HDAC3 (0.87) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL24950237 | 0.97 | HDAC3 (0.87) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL29816962 | 0.97 | HDAC3 (0.87) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL23120552 | 0.97 | HDAC3 (0.87) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| Dasatinib Anhydrous SCHEMBL16416414 | 0.95 | ABL1 (0.90) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| Dasatinib Anhydrous SCHEMBL28406464 | 0.94 | ABL1 (0.93) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL28935340 | 0.93 | ABL1 (0.87) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL29618215 | 0.93 | ABL1 (0.87) | HDAC3HDAC4HDAC1HDAC7HDAC2 |
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-2023096995-A1 | COMPOSITIONS AND METHODS COMPRISING SUBSTITUTED N-(2-CHLORO-6-METHYLPHENYL)-2-((6-(6-MEMBERED HETEROCYCLOALKYL)-2-METHYLPYRIMIDIN-4-YL)AMINO)THIAZOLE-5-CARBOXAMIDE ANALOGUES | ST. JUDE CHILDREN'S RESEARCH HOSPITAL, INC. (US) | 2023-06-01 | — | — | WO | disclosed |