Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 10/20 | 0.37 |
| ▸ | CA1 | P00915 | 7/20 | 0.37 |
| ▸ | ACHE | P22303 | 2/20 | 0.37 |
| ▸ | CA9 | Q16790 | 5/20 | 0.35 |
| ▸ | CA12 | O43570 | 3/20 | 0.35 |
| ▸ | PKM | P14618 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | ERN1 | O75460 | 1/20 | 0.33 |
| ▸ | MMP1 | P03956 | 1/20 | 0.33 |
| ▸ | MMP2 | P08253 | 1/20 | 0.33 |
| ▸ | MMP9 | P14780 | 1/20 | 0.33 |
| ▸ | MMP8 | P22894 | 1/20 | 0.33 |
| ▸ | MMP13 | P45452 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL23568566 | 0.86 | KEAP1 (0.47) | KEAP1CA2CA1ACHECA9 | |
| Ammonia Solution, Strong SCHEMBL2980807 | 0.85 | KEAP1 (0.46) | KEAP1CA2CA1ACHECA9 | |
| SCHEMBL4973829 | 0.79 | KEAP1 (0.42) | KEAP1CA2CA1ACHEPKM | |
| SCHEMBL13592488 | 0.77 | KEAP1 (0.46) | KEAP1CA2CA1ACHEPKM | |
| SCHEMBL1760843 | 0.77 | TRPV4 (0.42) | KEAP1CA2CA1ACHEPKM | |
| SCHEMBL2980809 | 0.76 | KEAP1 (0.42) | KEAP1CA2CA1ACHEPKM | |
| SCHEMBL20681302 | 0.75 | ALDH1A1 (0.40) | CA2CA1CA9CA12PKM | |
| SCHEMBL21962740 | 0.75 | PTGS2 (0.33) | CA2CA1CA9CA12PTGS1 | |
| SCHEMBL12261098 | 0.74 | MAPT (0.44) | KEAP1PKMALDH1A1MEN1KMT2A | |
| SCHEMBL23569348 | 0.72 | CA2 (0.34) | CA2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021123237-A1 | 2-AMINO-N-(AMINO-OXO-ARYL-LAMBDA6-SULFANYLIDENE)ACETAMIDE COMPOUNDS AND THEIR THERAPEUTIC USE | Oxford Drug Design Limited (GB) | 2021-06-24 | — | — | WO | disclosed |