Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | LCK | P06239 | 1/20 | 0.32 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.32 |
| ▸ | DPP4 | P27487 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7319284 | 0.90 | TSHR (0.40) | MAPK1CYP1A2TSHRALDH1A1TDP1 | |
| SCHEMBL12703835 | 0.84 | CYP1A2 (0.48) | MAPK1CYP1A2TSHRALDH1A1DPP4 | |
| SCHEMBL11668657 | 0.83 | TSHR (0.40) | MAPK1CYP1A2TSHRALDH1A1TDP1 | |
| SCHEMBL13601936 | 0.81 | TSHR (0.44) | TSHRALDH1A1TDP1LCKNLRP3 | |
| SCHEMBL13601934 | 0.78 | TSHR (0.52) | TSHRLCK | |
| SCHEMBL2562308 | 0.76 | TSHR (0.31) | TSHRALDH1A1NLRP3 | |
| SCHEMBL5145272 | 0.75 | TSHR (0.37) | MAPK1CYP1A2TSHRALDH1A1TDP1 | |
| SCHEMBL24577584 | 0.75 | PIK3CD (0.39) | MAPK1CYP1A2 | |
| SCHEMBL16750038 | 0.74 | ALDH1A1 (0.36) | TSHRALDH1A1TDP1NLRP3 | |
| SCHEMBL29957650 | 0.74 | ALDH1A1 (0.31) | TSHRALDH1A1NLRP3 |
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-3645507-B1 | PROCESS FOR MANUFACTURING A COMPLEXING AGENT | BASF SE (DE) | 2021-08-11 | — | — | EP | disclosed |