Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 5/20 | 0.43 |
| ▸ | CES2 | O00748 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA3 | P07451 | 1/20 | 0.39 |
| ▸ | CA4 | P22748 | 1/20 | 0.39 |
| ▸ | CA6 | P23280 | 1/20 | 0.39 |
| ▸ | CA5A | P35218 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.39 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.39 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL29088228 | 1.00 | PARP1 (0.43) | PARP1CES2CES1CA12CA1 | |
| SCHEMBL27881557 | 0.83 | AKR1C4 (0.44) | CA12CA1CA2CA3CA4 | |
| SCHEMBL8574493 | 0.83 | PARP1 (0.43) | PARP1CES2CES1CA12CA1 | |
| SCHEMBL27964790 | 0.83 | CES2 (0.45) | CES2CES1ALDH1A1HPGDKEAP1 | |
| SCHEMBL27964513 | 0.81 | KEAP1 (0.44) | CES2CES1CA1CA2CASP1 | |
| SCHEMBL8727182 | 0.81 | CA12 (0.40) | PARP1CA12CA1CA2CA3 | |
| SCHEMBL24898801 | 0.80 | PARP1 (0.41) | PARP1CES2CES1CA12CA1 | |
| SCHEMBL8723842 | 0.79 | CA12 (0.39) | CA12CA1CA2CA3CA4 | |
| SCHEMBL477698 | 0.78 | CES2 (0.68) | PARP1CES2CES1CA1CA2 | |
| SCHEMBL9465476 | 0.77 | CASP1 (0.43) | PARP1CES2CASP1ALDH1A1MAPT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4291563-A1 | TETRACYCLIC OXAZEPINE COMPOUNDS AND USES THEREOF | Genentech, Inc. (US) | 2023-12-20 | — | — | EP | disclosed |
| CN-116867792-A | Tetraepoxyazepine compound and use thereof | 基因泰克公司 | 2023-10-10 | — | — | CN | disclosed |
| WO-2022173678-A1 | TETRACYCLIC OXAZEPINE COMPOUNDS AND USES THEREOF | GENENTECH, INC. (US) | 2022-08-18 | — | — | WO | disclosed |