Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 2/20 | 0.44 |
| ▸ | XIAP | P98170 | 1/20 | 0.43 |
| ▸ | SRC | P12931 | 3/20 | 0.42 |
| ▸ | NPY1R | P25929 | 1/20 | 0.41 |
| ▸ | GSK3B | P49841 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | F7 | P08709 | 2/20 | 0.38 |
| ▸ | F3 | P13726 | 2/20 | 0.38 |
| ▸ | F2 | P00734 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.38 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.38 |
| ▸ | HDAC11 | Q96DB2 | 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 | |
|---|---|---|---|---|
| SCHEMBL29270760 | 1.00 | TP53 (0.44) | TP53XIAPSRCNPY1RGSK3B | |
| SCHEMBL26961658 | 0.94 | XIAP (0.46) | TP53XIAPSRCNPY1RNPC1 | |
| SCHEMBL29796998 | 0.94 | XIAP (0.46) | TP53XIAPSRCNPY1RNPC1 | |
| SCHEMBL20279843 | 0.92 | TP53 (0.42) | TP53XIAPSRCNPY1RNPC1 | |
| SCHEMBL29796993 | 0.91 | NPC1 (0.43) | TP53XIAPSRCNPY1RNPC1 | |
| SCHEMBL26961734 | 0.91 | NPC1 (0.43) | TP53XIAPSRCNPY1RNPC1 | |
| SCHEMBL31628063 | 0.90 | XIAP (0.42) | TP53XIAPSRCNPY1RNPC1 | |
| SCHEMBL20280050 | 0.90 | KCNN4 (0.41) | TP53XIAPSRCNPY1RGSK3B | |
| SCHEMBL31375529 | 0.90 | XIAP (0.42) | TP53XIAPSRCNPY1RNPC1 | |
| SCHEMBL29796876 | 0.90 | KCNN4 (0.41) | TP53XIAPSRCNPY1RGSK3B |
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-119698413-A | Bicyclic tetrahydrothiazepine derivatives | 豪夫迈·罗氏有限公司 | 2025-03-25 | — | — | CN | disclosed |