Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.31 |
| ▸ | BAD | Q92934 | 1/20 | 0.31 |
| ▸ | PARP1 | P09874 | 1/20 | 0.30 |
| ▸ | TDP2 | O95551 | 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 | |
|---|---|---|---|---|
| SCHEMBL9120020 | 0.84 | AKR1C3 (0.31) | TDP2 | |
| SCHEMBL19867649 | 0.81 | TDP2 (0.32) | TDP2 | |
| SCHEMBL5369024 | 0.76 | PNMT (0.34) | BCL2L1BADPARP1 | |
| SCHEMBL27574683 | 0.76 | BCL2L1 (0.53) | BCL2L1BAD | |
| SCHEMBL21955312 | 0.76 | CD44 (0.43) | BCL2L1BADPARP1 | |
| SCHEMBL2149255 | 0.76 | DRD2 (0.44) | — | |
| SCHEMBL12043369 | 0.76 | KDM4E (0.39) | BCL2L1BADPARP1 | |
| SCHEMBL19835608 | 0.76 | ADRA2A (0.47) | — | |
| SCHEMBL22493786 | 0.73 | — | — | |
| SCHEMBL21818394 | 0.72 | PARP1 (0.45) | PARP1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021048567-A1 | NEW COMPOUNDS AND METHODS | BENEVOLENTAI BIO LIMITED (GB) | 2021-03-18 | — | — | WO | disclosed |
| EP-2342182-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. Lundbeck A/S (DK) | 2011-07-13 | — | — | EP | disclosed |
| WO-2010028655-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. LUNDBECK A/S (DK) | 2010-03-18 | — | — | WO | disclosed |