Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 1/20 | 0.51 |
| ▸ | MAOB | P27338 | 1/20 | 0.51 |
| ▸ | BTK | Q06187 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | CTSK | P43235 | 2/20 | 0.44 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.42 |
| ▸ | CCR2 | P41597 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 2/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.39 |
| ▸ | RELA | Q04206 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL28626267 | 1.00 | KDM1A (0.51) | KDM1AMAOBBTKGAACTSK | |
| SCHEMBL13233377 | 0.93 | BTK (0.53) | KDM1AMAOBBTKGAACTSK | |
| SCHEMBL28019743 | 0.90 | KDM1A (0.58) | KDM1AMAOBBTKGAACTSK | |
| SCHEMBL28616805 | 0.90 | KDM1A (0.58) | KDM1AMAOBBTKGAACTSK | |
| SCHEMBL21553263 | 0.87 | BTK (0.55) | KDM1AMAOBBTKGAACTSK | |
| SCHEMBL21553295 | 0.87 | BTK (0.55) | KDM1AMAOBBTKGAACTSK | |
| SCHEMBL20960871 | 0.85 | BTK (0.51) | KDM1AMAOBBTKGAACTSK | |
| SCHEMBL1062209 | 0.85 | BTK (0.51) | KDM1AMAOBBTKGAACTSK | |
| SCHEMBL20331988 | 0.85 | BTK (0.51) | KDM1AMAOBBTKGAACTSK | |
| SCHEMBL3702152 | 0.84 | BTK (0.61) | KDM1AMAOBBTKGAACTSK |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109897038-B | Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases | 艾伯维爱尔兰无限公司 | 2022-04-05 | — | — | CN | disclosed |
| CN-108175749-B | Melt-extruded solid dispersions containing apoptosis-inducing agents | 艾伯维爱尔兰无限公司 | 2021-09-10 | — | — | CN | disclosed |