Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 7/20 | 0.50 |
| ▸ | CA9 | Q16790 | 7/20 | 0.50 |
| ▸ | CA2 | P00918 | 6/20 | 0.50 |
| ▸ | CA1 | P00915 | 5/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | MTOR | P42345 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 3/20 | 0.45 |
| ▸ | VCP | P55072 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | MMP2 | P08253 | 2/20 | 0.41 |
| ▸ | MMP3 | P08254 | 2/20 | 0.41 |
| ▸ | MMP13 | P45452 | 2/20 | 0.41 |
| ▸ | MMP9 | P14780 | 2/20 | 0.40 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28858455 | 0.93 | NPC1 (0.55) | CA12CA9CA2CA1NPC1 | |
| SCHEMBL28433392 | 0.90 | CA2 (0.60) | CA12CA9CA2CA1NPC1 | |
| SCHEMBL7948200 | 0.86 | NPC1 (0.59) | CA12CA9CA2CA1NPC1 | |
| SCHEMBL28439929 | 0.82 | CA2 (0.51) | CA12CA9CA2CA1GAA | |
| SCHEMBL28441058 | 0.82 | CA12 (0.51) | CA12CA9CA2CA1GAA | |
| SCHEMBL28440414 | 0.82 | CA12 (0.51) | CA12CA9CA2CA1GAA | |
| SCHEMBL28281697 | 0.81 | PKM (0.47) | CA12CA9CA2CA1NPC1 | |
| SCHEMBL28710707 | 0.81 | NPC1 (0.46) | CA12CA9CA2CA1NPC1 | |
| SCHEMBL28281703 | 0.81 | NPC1 (0.46) | CA12CA9CA2CA1NPC1 | |
| SCHEMBL28281734 | 0.81 | NPC1 (0.46) | CA12CA9CA2CA1NPC1 |
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-114195687-B | Beta-chloro tetra-substituted alkenyl sulfone compound and synthesis method thereof | 华南理工大学 | 2023-06-20 | — | — | CN | disclosed |
| CN-114195687-A | Beta-chloro tetra-substituted alkenyl sulfone compound and synthetic method thereof | 华南理工大学 | 2022-03-18 | — | — | CN | disclosed |