Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.38 |
| ▸ | PTGES2 | Q9H7Z7 | 1/20 | 0.37 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL22280141 | 0.72 | BLM (0.41) | ALDH1A1CYP1A2CYP2C9CYP2C19TSHR | |
| SCHEMBL22012925 | 0.72 | — | — | |
| SCHEMBL6720359 | 0.71 | ALDH1A1 (0.53) | ALDH1A1CYP1A2CYP2C9CYP2C19TSHR | |
| SCHEMBL14719895 | 0.71 | TSHR (0.53) | ALDH1A1CYP1A2CYP2C9CYP2C19TSHR | |
| SCHEMBL22265816 | 0.70 | ALDH1A1 (0.51) | ALDH1A1CYP1A2CYP2C9CYP2C19TSHR | |
| SCHEMBL6720360 | 0.70 | ALDH1A1 (0.51) | ALDH1A1CYP1A2CYP2C9CYP2C19TSHR | |
| SCHEMBL25014618 | 0.69 | MMP1 (0.41) | ALDH1A1CYP2C19TSHRPOLBKMT2A | |
| SCHEMBL21186548 | 0.68 | ALDH1A1 (0.42) | ALDH1A1CYP1A2CYP2C9CYP2C19TSHR | |
| SCHEMBL21186495 | 0.68 | POLB (0.44) | ALDH1A1CYP1A2CYP2C9CYP2C19TSHR | |
| SCHEMBL21186525 | 0.68 | ALDH1A1 (0.49) | ALDH1A1CYP1A2CYP2C9CYP2C19TSHR |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113316566-A | Compounds and compositions for treating conditions associated with NLRP activity | 诺华股份有限公司 | 2021-08-27 | — | — | CN | disclosed |