Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 4/20 | 0.33 |
| ▸ | BACE2 | Q9Y5Z0 | 4/20 | 0.33 |
| ▸ | ALOX15B | O15296 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | KIT | P10721 | 1/20 | 0.32 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL29270550 | 0.88 | TP53 (0.32) | — | |
| SCHEMBL29270618 | 0.88 | TP53 (0.35) | — | |
| SCHEMBL29270511 | 0.88 | ALOX15B (0.39) | BACE1BACE2ALOX15BALDH1A1 | |
| SCHEMBL26961306 | 0.87 | BACE1 (0.33) | BACE1BACE2ALOX15BALDH1A1KIT | |
| SCHEMBL29270632 | 0.81 | NPC1 (0.44) | BACE1BACE2ALDH1A1GRM2 | |
| SCHEMBL29270473 | 0.81 | KMT2A (0.42) | BACE1BACE2ALDH1A1GRM2 | |
| SCHEMBL29270508 | 0.81 | USP30 (0.36) | BACE1BACE2GRM2 | |
| SCHEMBL29270639 | 0.81 | KDM4E (0.38) | BACE1BACE2GRM2 | |
| SCHEMBL29270587 | 0.80 | HPGD (0.40) | BACE1BACE2ALDH1A1GRM2 | |
| SCHEMBL29270680 | 0.80 | BRD4 (0.35) | BACE1BACE2GRM2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116964048-A | Bicyclic tetrahydroazepine derivatives for the treatment of cancer | 豪夫迈·罗氏有限公司 | 2023-10-27 | — | — | CN | claimed |
| CN-116964048-A | Bicyclic tetrahydroazepine derivatives for the treatment of cancer | 豪夫迈·罗氏有限公司 | 2023-10-27 | — | — | CN | disclosed |