Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NSD2 | O96028 | 1/20 | 0.51 |
| ▸ | ATIC | P31939 | 1/20 | 0.43 |
| ▸ | TTR | P02766 | 1/20 | 0.42 |
| ▸ | CASP6 | P55212 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | HTR6 | P50406 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | FEN1 | P39748 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL29948294 | 1.00 | NSD2 (0.51) | NSD2ATICTTRCASP6ALDH1A1 | |
| SCHEMBL30879534 | 0.85 | NSD2 (0.40) | NSD2ALDH1A1TSHRKDM4EHTR6 | |
| SCHEMBL3685348 | 0.85 | NSD2 (0.40) | NSD2ALDH1A1TSHRKDM4EHTR6 | |
| Trimethylammonium SCHEMBL29177484 | 0.79 | CA1 (0.55) | ATICTTRHTR6MEN1KMT2A | |
| Trimethylammonium SCHEMBL23581573 | 0.79 | CA1 (0.55) | ATICTTRHTR6MEN1KMT2A | |
| SCHEMBL23630298 | 0.78 | CCR4 (0.41) | ALDH1A1TSHRKDM4EHTR6MEN1 | |
| SCHEMBL23630437 | 0.78 | CCR4 (0.41) | ALDH1A1TSHRKDM4EHTR6MEN1 | |
| SCHEMBL8469233 | 0.77 | CYP1A2 (0.55) | ATICTTRCASP6ALDH1A1KDM4E | |
| SCHEMBL8778699 | 0.77 | CHRM5 (0.46) | TTRALDH1A1KDM4EHTR6MEN1 | |
| SCHEMBL23630601 | 0.77 | CCR4 (0.40) | HTR6 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021141507-A1 | AROMATIC SULPHONAMIDES DERIVATIVES THAT INHIBITS PDI A3, THEIR SYNTHESIS AND USE | Uniwersytet Jagielloński (PL) | 2021-07-15 | — | — | WO | disclosed |
| WO-2021141506-A1 | AROMATIC SULPHONAMIDES DERIVATIVES THAT INHIBITS PDI A1, THEIR SYNTHESIS AND USE | Uniwersytet Jagielloński (PL) | 2021-07-15 | — | — | WO | disclosed |