Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.66 |
| ▸ | CCR6 | P51684 | 3/20 | 0.66 |
| ▸ | MAPT | P10636 | 3/20 | 0.66 |
| ▸ | PKM | P14618 | 2/20 | 0.66 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.66 |
| ▸ | HPGD | P15428 | 1/20 | 0.66 |
| ▸ | HTT | P42858 | 1/20 | 0.66 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.66 |
| ▸ | NLRP1 | Q9C000 | 1/20 | 0.66 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.66 |
| ▸ | POLB | P06746 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 2/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | ACHE | P22303 | 1/20 | 0.45 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | ESR1 | P03372 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL29510567 | 1.00 | ALDH1A1 (0.66) | ALDH1A1CCR6MAPTPKMHSP90AA1 | |
| SCHEMBL14656749 | 0.81 | ALDH1A1 (0.58) | ALDH1A1CCR6MAPTPKMHSP90AA1 | |
| SCHEMBL10586556 | 0.81 | CCR6 (0.60) | ALDH1A1CCR6MAPTPKMHSP90AA1 | |
| SCHEMBL11647855 | 0.80 | ALDH1A1 (0.58) | ALDH1A1CCR6MAPTPKMHSP90AA1 | |
| SCHEMBL14656816 | 0.80 | ALDH1A1 (0.57) | ALDH1A1CCR6MAPTPKMHSP90AA1 | |
| SCHEMBL9690922 | 0.80 | ALDH1A1 (0.62) | ALDH1A1CCR6MAPTPKMHSP90AA1 | |
| SCHEMBL9067561 | 0.76 | TLR9 (0.54) | ALDH1A1CCR6MAPTPKMHSP90AA1 | |
| SCHEMBL11648461 | 0.76 | ALDH1A1 (0.68) | ALDH1A1CCR6MAPTPKMHSP90AA1 | |
| SCHEMBL710745 | 0.75 | TLR9 (0.59) | ALDH1A1CCR6MAPTPKMHSP90AA1 | |
| SCHEMBL29510755 | 0.75 | TLR9 (0.59) | ALDH1A1CCR6MAPTPKMHSP90AA1 |
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 |
| EP-0508800-A1 | New Herbicides | RHONE POULENC AGRICULTURE LTD. (GB) | 1992-10-14 | — | — | EP | disclosed |