Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5AP | P20292 | 1/20 | 0.43 |
| ▸ | FEN1 | P39748 | 1/20 | 0.43 |
| ▸ | WDR5 | P61964 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | RELA | Q04206 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | GRM5 | P41594 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | DHODH | Q02127 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL19400468 | 0.96 | WDR5 (0.43) | ALOX5APFEN1WDR5MAPK1MEN1 | |
| SCHEMBL200742 | 0.93 | ALDH1A1 (0.42) | ALOX5APFEN1WDR5MAPK1MEN1 | |
| Methane SCHEMBL28995944 | 0.91 | ALDH1A1 (0.41) | ALOX5APFEN1WDR5MAPK1MEN1 | |
| SCHEMBL27346716 | 0.91 | ALDH1A1 (0.41) | ALOX5APFEN1WDR5MAPK1MEN1 | |
| SCHEMBL17889182 | 0.89 | MAPK1 (0.43) | WDR5MAPK1MEN1NPC1PKM | |
| Hydrochloric Acid SCHEMBL9010527 | 0.89 | WDR5 (0.40) | ALOX5APFEN1WDR5MAPK1MEN1 | |
| SCHEMBL8124727 | 0.89 | WDR5 (0.43) | WDR5MAPK1MEN1NPC1PKM | |
| Ethane SCHEMBL27611886 | 0.89 | HDAC3 (0.41) | WDR5MAPK1MEN1NPC1PKM | |
| Cyanide SCHEMBL28270938 | 0.87 | HSD11B1 (0.39) | ALOX5APFEN1WDR5MAPK1MEN1 | |
| Chloromethane SCHEMBL27523745 | 0.87 | CYP2A6 (0.43) | WDR5MAPK1MEN1NPC1PKM |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022128845-A1 | HETEROAROMATIC ISOTHIOCYANATES | MERCK PATENT GMBH (DE) | 2022-06-23 | — | — | WO | disclosed |
| EP-2860236-A1 | LIQUID-CRYSTAL COMPOSITION | DIC Corporation (JP) | 2015-04-15 | — | — | EP | disclosed |