Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | SERPINE1 | P05121 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | PLK1 | P53350 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL28510870 | 0.99 | MEN1 (0.49) | MEN1KMT2AMAPK1NPSR1CYP2C19 | |
| SCHEMBL28501335 | 0.85 | CYP2C19 (0.41) | MEN1KMT2AMAPK1NPSR1CYP2C19 | |
| SCHEMBL2883498 | 0.83 | CYP2C19 (0.68) | CYP2C19KCNH2 | |
| SCHEMBL29655735 | 0.80 | CYP2C19 (0.72) | CYP2C19KCNH2 | |
| SCHEMBL23093735 | 0.80 | CYP2C19 (0.72) | CYP2C19KCNH2 | |
| SCHEMBL28507252 | 0.80 | PLK1 (0.45) | MEN1KMT2AMAPK1CYP2C19KCNH2 | |
| Hydrochloric Acid SCHEMBL28505022 | 0.80 | CYP2C19 (0.71) | CYP2C19KCNH2 | |
| SCHEMBL28748566 | 0.79 | CYP2C19 (0.60) | CYP2C19KCNH2PLK1 | |
| SCHEMBL29655650 | 0.79 | CYP2C19 (0.60) | MEN1KMT2ACYP2C19KCNH2POLB | |
| SCHEMBL28748567 | 0.79 | CYP2C19 (0.60) | CYP2C19KCNH2PLK1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-108929329-B | 2-azacyclo-5-trifluoromethyl-8-nitrobenz (thio) pyran-4-ones | 中国医学科学院药物研究所 | 2020-12-11 | — | — | CN | disclosed |