Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 5/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.36 |
| ▸ | RELA | Q04206 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | BRAF | P15056 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | FNTA | P49354 | 1/20 | 0.34 |
| ▸ | FNTB | P49356 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28296972 | 0.79 | L3MBTL1 (0.47) | SMN1; SMN2MAPTALDH1A1NPC1KDM4E | |
| SCHEMBL19972236 | 0.78 | SMN1; SMN2 (0.40) | SMN1; SMN2MAPTALDH1A1NPC1KDM4E | |
| SCHEMBL21342460 | 0.74 | KMT2A (0.44) | SMN1; SMN2ALDH1A1NPC1KDM4EBRAF | |
| SCHEMBL1462180 | 0.71 | CYP3A4 (0.43) | SMN1; SMN2ALDH1A1NPC1CYP3A4HPGD | |
| Malonic Acid Diethyl Ester SCHEMBL7992219 | 0.71 | SMN1; SMN2 (0.46) | SMN1; SMN2ALDH1A1NPC1KDM4ECYP3A4 | |
| SCHEMBL5042739 | 0.70 | SMN1; SMN2 (0.43) | SMN1; SMN2ALDH1A1NPC1CYP3A4HPGD | |
| Hydrochloric Acid SCHEMBL19972373 | 0.70 | SMN1; SMN2 (0.37) | SMN1; SMN2ALDH1A1NPC1HSD17B10CYP3A4 | |
| SCHEMBL6255091 | 0.69 | TNF (0.38) | MAPTALDH1A1KMT2A | |
| SCHEMBL5042607 | 0.68 | CYP3A4 (0.40) | SMN1; SMN2ALDH1A1NPC1CYP3A4HPGD | |
| SCHEMBL19988401 | 0.68 | KDM4E (0.37) | SMN1; SMN2MAPTALDH1A1NPC1KDM4E |
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-109715614-A | The 6 yuan of cyclammonium or lactams replaced with urea and phenyl | 格吕伦塔尔有限公司 | 2019-05-03 | — | — | CN | disclosed |