Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR9 | Q9NR96 | 2/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.58 |
| ▸ | ATM | Q13315 | 2/20 | 0.58 |
| ▸ | MYC | P01106 | 1/20 | 0.58 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.58 |
| ▸ | PKM | P14618 | 1/20 | 0.58 |
| ▸ | CCR6 | P51684 | 1/20 | 0.58 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.57 |
| ▸ | POLB | P06746 | 2/20 | 0.55 |
| ▸ | MEN1 | O00255 | 2/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.55 |
| ▸ | MGLL | Q99685 | 8/20 | 0.54 |
| ▸ | TSHR | P16473 | 3/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | CFTR | P13569 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | FAAH | O00519 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL15434915 | 0.85 | MYC (0.66) | ALDH1A1ATMMYCSMN1; SMN2POLB | |
| SCHEMBL15033486 | 0.82 | TSHR (0.61) | TLR9ALDH1A1ATMHSP90AA1PKM | |
| SCHEMBL11357026 | 0.81 | TDP1 (0.57) | TLR9ALDH1A1ATMHSP90AA1PKM | |
| SCHEMBL29510541 | 0.80 | TLR9 (0.64) | TLR9ALDH1A1ATMMYCHSP90AA1 | |
| SCHEMBL9240798 | 0.80 | TLR9 (0.64) | TLR9ALDH1A1ATMMYCHSP90AA1 | |
| SCHEMBL15129225 | 0.80 | ALDH1A1 (0.59) | TLR9ALDH1A1ATMHSP90AA1PKM | |
| SCHEMBL28752508 | 0.79 | TLR9 (0.63) | TLR9ALDH1A1ATMHSP90AA1PKM | |
| SCHEMBL18470139 | 0.79 | MYC (0.54) | ALDH1A1ATMMYCSMN1; SMN2POLB | |
| SCHEMBL29364136 | 0.78 | ALDH1A1 (0.71) | TLR9ALDH1A1ATMMYCHSP90AA1 | |
| SCHEMBL183052 | 0.78 | ALDH1A1 (0.71) | TLR9ALDH1A1ATMMYCHSP90AA1 |
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-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 |
| CN-109180553-B | Preparation method of p53 allosteric preparation and application of allosteric preparation as medicine | 中国药科大学 | 2020-10-16 | — | — | CN | disclosed |