Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.53 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.53 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 3/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | HPGD | P15428 | 2/20 | 0.49 |
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 2/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | F2 | P00734 | 1/20 | 0.48 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.46 |
| ▸ | RELA | Q04206 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL537205 | 0.90 | TDP1 (0.65) | TDP1KMT2AMAPK1HIF1ASLC6A2 | |
| SCHEMBL31420198 | 0.88 | TDP1 (0.63) | TDP1KMT2AMAPK1HIF1ASLC6A2 | |
| SCHEMBL28174269 | 0.83 | TDP1 (0.53) | TDP1KMT2AMAPK1HIF1ASLC6A2 | |
| Bicarbonate SCHEMBL27655012 | 0.82 | TDP1 (0.57) | TDP1KMT2AMAPK1HIF1ASLC6A2 | |
| Bicarbonate SCHEMBL27655013 | 0.82 | TDP1 (0.57) | TDP1KMT2AMAPK1HIF1ASLC6A2 | |
| Pyrrolidine SCHEMBL27926422 | 0.80 | TDP1 (0.50) | TDP1KMT2AMAPK1HIF1ASLC6A2 | |
| SCHEMBL28716126 | 0.79 | ESR1 (0.52) | TDP1KMT2AMAPK1HIF1ASLC6A2 | |
| Methyl Benzoate SCHEMBL28300253 | 0.76 | TSHR (0.79) | TDP1KMT2ASLC6A3LMNAALDH1A1 | |
| SCHEMBL561869 | 0.76 | TDP1 (0.70) | TDP1KMT2AMAPK1HIF1ASLC6A2 | |
| SCHEMBL28716128 | 0.75 | TSHR (0.55) | TDP1KMT2AMAPK1HIF1ASLC6A2 |
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-107074846-A | Harmful organism active heterocycles derivative is killed with sulfur-bearing substituent | 先正达参股股份有限公司 | 2017-08-18 | — | — | CN | disclosed |