Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.63 |
| ▸ | MAPT | P10636 | 9/20 | 0.56 |
| ▸ | GAA | P10253 | 7/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.56 |
| ▸ | HPGD | P15428 | 2/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.56 |
| ▸ | TP53 | P04637 | 2/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.56 |
| ▸ | NPC1 | O15118 | 1/20 | 0.54 |
| ▸ | HTT | P42858 | 3/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | PDE5A | O76074 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 4/20 | 0.52 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.52 |
| ▸ | GLA | P06280 | 1/20 | 0.51 |
| ▸ | CASP1 | P29466 | 1/20 | 0.51 |
| ▸ | CASP7 | P55210 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL4726558 | 0.84 | TSHR (0.55) | TSHRMAPTGAAALDH1A1KDM4E | |
| SCHEMBL26921894 | 0.83 | TSHR (0.55) | TSHRMAPTGAAALDH1A1KDM4E | |
| SCHEMBL28257291 | 0.80 | LOXL2 (0.53) | TSHRMAPTALDH1A1KDM4EHPGD | |
| SCHEMBL28866282 | 0.79 | ALDH1A1 (0.50) | TSHRMAPTGAAALDH1A1KDM4E | |
| SCHEMBL28257132 | 0.79 | KDM4E (0.51) | MAPTGAAALDH1A1KDM4EHPGD | |
| SCHEMBL28257168 | 0.79 | APP (0.46) | TSHRMAPTGAAHPGDNPC1 | |
| SCHEMBL28255602 | 0.78 | HPGD (0.55) | TSHRMAPTGAAALDH1A1KDM4E | |
| SCHEMBL23040086 | 0.77 | TSHR (0.55) | TSHRMAPTGAAALDH1A1KDM4E | |
| SCHEMBL18953194 | 0.77 | NPC1 (0.54) | TSHRMAPTGAAALDH1A1KDM4E | |
| SCHEMBL29499805 | 0.77 | TSHR (0.55) | TSHRMAPTGAAALDH1A1KDM4E |
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-108929280-A | Pyrazine derivative and its preparation method and pharmaceutical composition and purposes | 中国医学科学院药物研究所 | 2018-12-04 | — | — | CN | claimed |