Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 1/20 | 0.34 |
| ▸ | AURKA | O14965 | 1/20 | 0.34 |
| ▸ | TPX2 | Q9ULW0 | 1/20 | 0.34 |
| ▸ | PPARD | Q03181 | 2/20 | 0.33 |
| ▸ | SCN5A | Q14524 | 2/20 | 0.33 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.33 |
| ▸ | KIF11 | P52732 | 1/20 | 0.33 |
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 0.33 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.33 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.32 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.32 |
| ▸ | DHODH | Q02127 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.32 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.32 |
| ▸ | NAAA | Q02083 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL22622797 | 0.93 | ACACB (0.34) | ACACBAURKATPX2PPARDSCN5A | |
| SCHEMBL22622985 | 0.91 | AURKA (0.37) | ACACBAURKATPX2SCN5AKIF11 | |
| SCHEMBL22622867 | 0.89 | ACACB (0.33) | ACACBAURKATPX2SCN5AFFAR4 | |
| SCHEMBL22622826 | 0.86 | ACACB (0.35) | ACACBAURKATPX2PPARDSCN5A | |
| SCHEMBL22622815 | 0.86 | ACACB (0.35) | ACACBAURKATPX2SCN5APTGER4 | |
| SCHEMBL22622976 | 0.85 | DHODH (0.31) | SCN5APTGER4KIF11DHODHNAAA | |
| SCHEMBL22622974 | 0.85 | AURKA (0.31) | AURKATPX2SCN5APTGER4KIF11 | |
| SCHEMBL24390836 | 0.85 | KCNH2 (0.32) | NAAA | |
| SCHEMBL25056671 | 0.85 | AURKA (0.41) | AURKATPX2SCN5AKIF11AKR1C2 | |
| SCHEMBL22622688 | 0.83 | ACACB (0.33) | ACACBAURKATPX2SCN5AFFAR4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022090098-A1 | AROMATIC ISOTHIOCYANATES | MERCK PATENT GMBH (DE) | 2022-05-05 | — | — | WO | disclosed |
| US-20200347301-A1 | Isothiocyanato-tolanes | MERCK PATENT GMBH (DE) | 2020-11-05 | — | — | US | disclosed |
| EP-3733816-A1 | ISOTHIOCYANATO-TOLANES | Merck Patent GmbH (DE) | 2020-11-04 | — | — | EP | disclosed |