Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS1 | P29475 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | NUDT1 | P36639 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL24775204 | 0.81 | NOS1 (0.44) | NOS1KDM4EALDH1A1GAAMAPT | |
| SCHEMBL28528279 | 0.77 | CYP2D6 (0.38) | NOS1CYP2D6CYP2C9MAPK1CYP2C19 | |
| SCHEMBL28528284 | 0.77 | CYP2D6 (0.38) | NOS1CYP2D6CYP2C9MAPK1CYP2C19 | |
| SCHEMBL22165467 | 0.74 | CHRNB2 (0.50) | NUDT1CYP2D6CYP2C9MAPK1CYP2C19 | |
| SCHEMBL28519576 | 0.73 | NOS1 (0.37) | NOS1KDM4EALDH1A1GAAMAPT | |
| SCHEMBL24775580 | 0.72 | HRH3 (0.38) | MAPTCYP2D6CYP2C9MAPK1CYP2C19 | |
| SCHEMBL28522996 | 0.72 | HDAC1 (0.40) | — | |
| SCHEMBL6937201 | 0.72 | NOS1 (0.40) | NOS1KDM4EALDH1A1GAAMAPT | |
| SCHEMBL24775532 | 0.71 | MGLL (0.41) | NOS1KDM4EALDH1A1GAAMAPT | |
| SCHEMBL29855684 | 0.71 | MGLL (0.41) | NOS1KDM4EALDH1A1GAAMAPT |
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 |
|---|---|---|---|---|---|---|---|
| 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 |