Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAAA | Q02083 | 2/20 | 0.32 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.31 |
| ▸ | FEN1 | P39748 | 1/20 | 0.31 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.31 |
| ▸ | TTR | P02766 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL24538330 | 0.98 | NAAA (0.32) | NAAATTR | |
| SCHEMBL22108968 | 0.98 | NAAA (0.32) | NAAATTR | |
| SCHEMBL22108967 | 0.88 | NAAA (0.32) | NAAA | |
| SCHEMBL22108952 | 0.88 | NAAA (0.32) | NAAA | |
| SCHEMBL22108901 | 0.85 | NAAA (0.32) | NAAAALOX5APFEN1ESR1ESR2 | |
| SCHEMBL22108902 | 0.85 | NAAA (0.32) | NAAAALOX5APFEN1ESR1ESR2 | |
| SCHEMBL22108969 | 0.85 | NAAA (0.32) | NAAAALOX5APFEN1ESR1ESR2 | |
| SCHEMBL22108903 | 0.85 | P2RY6 (0.37) | NAAATTR | |
| SCHEMBL21396278 | 0.84 | ESR1 (0.41) | ESR1ESR2 | |
| SCHEMBL91996 | 0.84 | PDE3B (0.36) | NAAA |
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 |
| WO-2021116080-A1 | AROMATIC ISOTHIOCYANATES | MERCK PATENT GMBH (DE) | 2021-06-17 | — | — | WO | disclosed |