Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | XIAP | P98170 | 1/20 | 0.34 |
| ▸ | SRC | P12931 | 3/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.32 |
| ▸ | HDAC4 | P56524 | 4/20 | 0.32 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.31 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.30 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.30 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.30 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.30 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.30 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.30 |
| ▸ | NPY1R | P25929 | 1/20 | 0.30 |
| ▸ | F7 | P08709 | 1/20 | 0.30 |
| ▸ | F3 | P13726 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL26961737 | 0.91 | XIAP (0.36) | XIAPSRCPDE4BNPY1RF7 | |
| SCHEMBL26962172 | 0.89 | SRC (0.36) | XIAPSRCPDE4BNPY1RF7 | |
| SCHEMBL26962006 | 0.83 | SRC (0.33) | XIAPSRCPDE4BNPY1R | |
| SCHEMBL26961894 | 0.83 | SRC (0.33) | XIAPSRCPDE4BNPY1R | |
| SCHEMBL29796933 | 0.83 | SRC (0.33) | XIAPSRCPDE4BNPY1R | |
| SCHEMBL26962322 | 0.81 | PDE4B (0.33) | XIAPPDE4BNPY1R | |
| SCHEMBL26962145 | 0.80 | S1PR1 (0.33) | XIAPSRCPDE4BNPY1R | |
| SCHEMBL26962000 | 0.80 | PDE4B (0.40) | XIAPSRCPDE4BNPY1R | |
| SCHEMBL26962135 | 0.79 | ABHD6 (0.33) | PDE4BNPY1R | |
| SCHEMBL29270821 | 0.78 | XIAP (0.38) | XIAPSRCNPY1R |
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 |
|---|---|---|---|---|---|---|---|
| CN-119677733-A | Bicyclic tetrahydrothiazepine derivatives | 豪夫迈·罗氏有限公司 | 2025-03-21 | — | — | CN | disclosed |