Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NLRP3 | Q96P20 | 3/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | MAP3K7 | O43318 | 1/20 | 0.31 |
| ▸ | TAB1 | Q15750 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6434286 | 0.86 | MAP3K7 (0.32) | NLRP3CYP1A2MAP3K7TAB1 | |
| SCHEMBL6434283 | 0.86 | MAP3K7 (0.32) | NLRP3CYP1A2MAP3K7TAB1 | |
| SCHEMBL10276525 | 0.85 | ALDH1A1 (0.35) | MAP3K7TAB1ALDH1A1 | |
| SCHEMBL12199033 | 0.85 | ALDH1A1 (0.35) | MAP3K7TAB1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL28268599 | 0.85 | MAP3K7 (0.31) | NLRP3CYP1A2MAP3K7TAB1 | |
| SCHEMBL28287713 | 0.84 | NLRP3 (0.32) | NLRP3CYP1A2MAP3K7TAB1 | |
| SCHEMBL5813150 | 0.82 | KDM4E (0.36) | NLRP3CYP1A2MAP3K7TAB1KDM4E | |
| SCHEMBL5813144 | 0.82 | KDM4E (0.36) | NLRP3CYP1A2MAP3K7TAB1KDM4E | |
| SCHEMBL3159235 | 0.81 | APAF1 (0.40) | CYP1A2TSHRKDM4EPOLB | |
| SCHEMBL12202544 | 0.81 | MAP3K7 (0.30) | MAP3K7TAB1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3151817-B1 | SULFUR(VI) FLUORIDE COMPOUNDS AND METHODS FOR THE PREPARATION THEREOF | SCRIPPS RESEARCH INST (US) | 2021-03-03 | — | — | EP | disclosed |