Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.44 |
| ▸ | TP53BP1 | Q12888 | 1/20 | 0.42 |
| ▸ | GRM5 | P41594 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.40 |
| ▸ | F2 | P00734 | 1/20 | 0.40 |
| ▸ | MTOR | P42345 | 3/20 | 0.39 |
| ▸ | MGLL | Q99685 | 1/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | GSK3B | P49841 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.37 |
| ▸ | MYC | P01106 | 1/20 | 0.36 |
| ▸ | MAX | P61244 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL40374 | 0.94 | ALDH1A1 (0.50) | ALDH1A1TSHRHDAC1HDAC2TP53BP1 | |
| SCHEMBL29439753 | 0.94 | ALDH1A1 (0.50) | ALDH1A1TSHRHDAC1HDAC2TP53BP1 | |
| SCHEMBL16794981 | 0.80 | GSK3B (0.57) | ALDH1A1HDAC1HDAC2TP53BP1GRM5 | |
| SCHEMBL27510 | 0.78 | ALDH1A1 (0.59) | ALDH1A1TSHRATMTDP1L3MBTL1 | |
| SCHEMBL30967896 | 0.78 | MGLL (0.42) | HDAC1HDAC2TP53BP1GRM5SLC6A2 | |
| SCHEMBL18079795 | 0.76 | CES2 (0.54) | HDAC1HDAC2TP53BP1GRM5SLC6A2 | |
| SCHEMBL3673834 | 0.76 | ATM (0.58) | ALDH1A1HDAC1HDAC2TP53BP1GRM5 | |
| Methylene Chloride SCHEMBL28080178 | 0.76 | PARP1 (0.57) | ALDH1A1TSHRMAPK1L3MBTL1 | |
| Bromide SCHEMBL31026552 | 0.75 | ALDH1A1 (0.57) | ALDH1A1TSHRATMTDP1L3MBTL1 | |
| Iodide SCHEMBL29916276 | 0.75 | ALDH1A1 (0.57) | ALDH1A1TSHRATMTDP1L3MBTL1 |
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-110483502-A | A kind of pyrido [1,2-a] [1,2,4] triazole carbenes and its synthetic method and application | UNIV ZHEJIANG TECHNOLOGY | 2019-11-22 | — | — | CN | disclosed |