Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
| ▸ | NOS1 | P29475 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28528279 | 1.00 | CYP2D6 (0.38) | CYP2D6CYP2C9MAPK1CYP2C19CHRNA7 | |
| SCHEMBL24775580 | 0.95 | HRH3 (0.38) | CYP2D6CYP2C9MAPK1CYP2C19OPRM1 | |
| SCHEMBL28909558 | 0.90 | HRH3 (0.41) | CYP2D6CYP2C9MAPK1CYP2C19CHRNA7 | |
| SCHEMBL28529794 | 0.90 | HTR2C (0.41) | CYP2D6CYP2C9MAPK1CYP2C19 | |
| SCHEMBL28909552 | 0.90 | HRH3 (0.41) | CYP2D6CYP2C9MAPK1CYP2C19CHRNA7 | |
| SCHEMBL31525091 | 0.90 | HTR2C (0.41) | CYP2D6CYP2C9MAPK1CYP2C19 | |
| SCHEMBL28529792 | 0.90 | HTR2C (0.41) | CYP2D6CYP2C9MAPK1CYP2C19 | |
| SCHEMBL28532862 | 0.86 | MAPT (0.41) | CYP2D6CYP2C9MAPK1CYP2C19KMT2A | |
| SCHEMBL28525720 | 0.85 | SLC18A3 (0.34) | CYP2D6CYP2C9MAPK1CYP2C19TSHR | |
| SCHEMBL28534879 | 0.84 | OPRM1 (0.39) | OPRM1OPRK1KMT2A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117683029-A | Bcl-2 inhibitors | 百济神州有限公司 | 2024-03-12 | — | — | CN | disclosed |
| CN-117430601-A | Bcl-2 inhibitors | 百济神州有限公司 | 2024-01-23 | — | — | CN | disclosed |
| CN-112437772-B | Bcl-2 inhibitors | 百济神州有限公司 | 2023-11-21 | — | — | CN | disclosed |
| CN-112437772-A | Bcl-2 inhibitors | 百济神州有限公司 | 2021-03-02 | — | — | CN | disclosed |