Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | KEAP1 | Q14145 | 4/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | MMP1 | P03956 | 1/20 | 0.39 |
| ▸ | MMP2 | P08253 | 1/20 | 0.39 |
| ▸ | MMP3 | P08254 | 1/20 | 0.39 |
| ▸ | MMP9 | P14780 | 1/20 | 0.39 |
| ▸ | MMP13 | P45452 | 1/20 | 0.39 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL4298286 | 1.00 | CA12 (0.44) | CA12CA9KEAP1CYP1A2CYP2C9 | |
| SCHEMBL20479343 | 0.88 | KEAP1 (0.43) | CA12CA9KEAP1CYP1A2CYP2C9 | |
| SCHEMBL3949971 | 0.88 | KEAP1 (0.43) | CA12CA9KEAP1CYP1A2CYP2C9 | |
| SCHEMBL18342128 | 0.88 | KEAP1 (0.43) | CA12CA9KEAP1CYP1A2CYP2C9 | |
| SCHEMBL2796405 | 0.85 | CA12 (0.43) | CA12CA9KEAP1CYP1A2CYP2C9 | |
| SCHEMBL20956682 | 0.85 | CA12 (0.43) | CA12CA9KEAP1CYP1A2CYP2C9 | |
| SCHEMBL23119906 | 0.85 | CA12 (0.43) | CA12CA9KEAP1CYP1A2CYP2C9 | |
| SCHEMBL15174845 | 0.84 | HCRTR1 (0.53) | KEAP1MMP2MMP3MMP9MMP13 | |
| SCHEMBL15184187 | 0.84 | HCRTR1 (0.53) | KEAP1MMP2MMP3MMP9MMP13 | |
| SCHEMBL8572110 | 0.83 | POLB (0.49) | MAPK1 |
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-112521372-B | Apoptosis protein inhibitor and preparation method and application thereof | 南京华威医药科技集团有限公司 | 2022-07-08 | — | — | CN | disclosed |
| WO-2021051827-A1 | APOPTOSIS PROTEIN INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF | 南京华威医药科技集团有限公司 | 2021-03-25 | — | — | WO | disclosed |
| CN-112521372-A | Apoptosis protein inhibitor and preparation method and application thereof | 南京华威医药科技集团有限公司 | 2021-03-19 | — | — | CN | disclosed |