Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | ENPP2 | Q13822 | 2/20 | 0.36 |
| ▸ | ATXN2 | Q99700 | 2/20 | 0.36 |
| ▸ | BACE1 | P56817 | 2/20 | 0.34 |
| ▸ | BCHE | P06276 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.31 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL29270547 | 0.90 | KDM4E (0.51) | KDM4ENPC1RAB9AENPP2ATXN2 | |
| SCHEMBL29270569 | 0.88 | KDM4E (0.38) | KDM4ENPC1RAB9AENPP2ATXN2 | |
| SCHEMBL29270458 | 0.88 | KDM4E (0.31) | KDM4ENPC1RAB9AENPP2ATXN2 | |
| SCHEMBL26961495 | 0.85 | RAB9A (0.37) | KDM4ENPC1RAB9AENPP2ATXN2 | |
| SCHEMBL29270535 | 0.85 | KDM4E (0.38) | KDM4ENPC1RAB9AENPP2ATXN2 | |
| SCHEMBL29270431 | 0.84 | KDM4E (0.37) | KDM4ENPC1RAB9ABACE1BCHE | |
| SCHEMBL29270632 | 0.83 | NPC1 (0.44) | KDM4ENPC1RAB9ABACE1BACE2 | |
| SCHEMBL29270657 | 0.83 | PDK2 (0.32) | BACE1BACE2GRM2 | |
| SCHEMBL29270587 | 0.82 | HPGD (0.40) | KDM4ENPC1RAB9ABACE1BACE2 | |
| SCHEMBL29270511 | 0.82 | ALOX15B (0.39) | BACE1BACE2 |
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 |