Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 1/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.32 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.32 |
| ▸ | MCHR1 | Q99705 | 3/20 | 0.31 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | BACE1 | P56817 | 1/20 | 0.30 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.30 |
| ▸ | TERT | O14746 | 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 | |
|---|---|---|---|---|
| SCHEMBL29270712 | 0.95 | GRM2 (0.33) | GRM2MCHR1PDK2KCNH2BACE1 | |
| SCHEMBL29270657 | 0.92 | PDK2 (0.32) | GRM2PDK2BACE1BACE2 | |
| SCHEMBL26961372 | 0.86 | RAB9A (0.32) | ALOX5PTGS1BACE1BACE2 | |
| SCHEMBL29270473 | 0.81 | KMT2A (0.42) | GRM2BACE1BACE2 | |
| SCHEMBL29270515 | 0.81 | PDK2 (0.30) | PDK2BACE1BACE2 | |
| SCHEMBL29270508 | 0.81 | USP30 (0.36) | GRM2PDK2BACE1BACE2 | |
| SCHEMBL29270577 | 0.81 | GRM2 (0.34) | GRM2MCHR1KCNH2BACE1BACE2 | |
| SCHEMBL29270547 | 0.81 | KDM4E (0.51) | GRM2BACE1TERT | |
| SCHEMBL31142776 | 0.81 | RAB9A (0.34) | MCHR1KCNH2BACE1BACE2 | |
| SCHEMBL29270587 | 0.80 | HPGD (0.40) | GRM2BACE1BACE2 |
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 |