Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 4/20 | 1.00 |
| ▸ | MGLL | Q99685 | 15/20 | 0.59 |
| ▸ | FAAH | O00519 | 7/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | PKM | P14618 | 1/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | ATM | Q13315 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL2146237 | 1.00 | HSP90AA1 (1.00) | HSP90AA1MGLLFAAHALDH1A1PKM | |
| SCHEMBL719070 | 0.94 | HSP90AA1 (0.89) | HSP90AA1MGLLFAAHALDH1A1PKM | |
| SCHEMBL723972 | 0.94 | HSP90AA1 (0.89) | HSP90AA1MGLLFAAHALDH1A1PKM | |
| SCHEMBL10411648 | 0.94 | HSP90AA1 (0.89) | HSP90AA1MGLLFAAHALDH1A1PKM | |
| SCHEMBL19512050 | 0.91 | HSP90AA1 (0.83) | HSP90AA1MGLLFAAHPKM | |
| SCHEMBL2928275 | 0.89 | HSP90AA1 (0.80) | HSP90AA1MGLLFAAHALDH1A1PKM | |
| SCHEMBL29405415 | 0.81 | HSP90AA1 (0.70) | HSP90AA1MGLLFAAHALDH1A1PKM | |
| SCHEMBL6396877 | 0.79 | HSP90AA1 (0.65) | HSP90AA1ALDH1A1LMNACYP1A2CYP2C9 | |
| SCHEMBL22862086 | 0.78 | HSP90AA1 (0.63) | HSP90AA1MGLLFAAHALDH1A1PKM | |
| SCHEMBL5769318 | 0.78 | HSP90AA1 (0.63) | HSP90AA1ALDH1A1LMNACYP1A2CYP2C9 |
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-114432301-B | Covalent inhibitor derivative and application thereof in treatment of viral infection | 北京大学 | 2024-05-31 | — | — | CN | disclosed |
| CN-114432301-A | Covalent inhibitor derivative and application thereof in treating virus infection | 北京大学 | 2022-05-06 | — | — | CN | disclosed |