Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM2 | Q14416 | 1/20 | 0.33 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.32 |
| ▸ | BACE1 | P56817 | 1/20 | 0.32 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.30 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.30 |
| ▸ | USP2 | O75604 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | TERT | O14746 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL29270657 | 0.96 | PDK2 (0.32) | GRM2PDK2BACE1BACE2 | |
| SCHEMBL29270650 | 0.95 | ALOX5 (0.32) | GRM2PDK2BACE1BACE2KCNH2 | |
| SCHEMBL31142776 | 0.85 | RAB9A (0.34) | BACE1BACE2KCNH2MCHR1USP2 | |
| SCHEMBL29270473 | 0.84 | KMT2A (0.42) | GRM2BACE1BACE2USP2TSHR | |
| SCHEMBL29270508 | 0.84 | USP30 (0.36) | GRM2PDK2BACE1BACE2TSHR | |
| SCHEMBL29270577 | 0.84 | GRM2 (0.34) | GRM2BACE1BACE2KCNH2MCHR1 | |
| SCHEMBL29270587 | 0.83 | HPGD (0.40) | GRM2BACE1BACE2TSHRMAPT | |
| SCHEMBL29270515 | 0.82 | PDK2 (0.30) | PDK2BACE1BACE2 | |
| SCHEMBL29270632 | 0.82 | NPC1 (0.44) | GRM2BACE1BACE2TSHRMAPT | |
| SCHEMBL26961429 | 0.82 | RAB9A (0.32) | 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 1 patent. 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 | disclosed |