Predicted protein targets (top 5)
| 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 |
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 | |
|---|---|---|---|---|
| SCHEMBL22108969 | 1.00 | NAAA (0.32) | NAAAALOX5APFEN1ESR1ESR2 | |
| SCHEMBL22108901 | 1.00 | NAAA (0.32) | NAAAALOX5APFEN1ESR1ESR2 | |
| SCHEMBL22108953 | 0.93 | ALOX5AP (0.32) | ALOX5APFEN1ESR1ESR2 | |
| SCHEMBL22108951 | 0.92 | NAAA (0.34) | NAAA | |
| SCHEMBL21386576 | 0.92 | NAAA (0.34) | NAAA | |
| SCHEMBL23510883 | 0.85 | NAAA (0.32) | NAAAALOX5APFEN1ESR1ESR2 | |
| SCHEMBL21387149 | 0.85 | ESR1 (0.44) | ESR1ESR2 | |
| SCHEMBL17506886 | 0.85 | PDE3B (0.35) | NAAAALOX5APFEN1ESR1ESR2 | |
| SCHEMBL22108968 | 0.84 | NAAA (0.32) | NAAA | |
| SCHEMBL24538330 | 0.84 | NAAA (0.32) | 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 7 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-2022090098-A1 | AROMATIC ISOTHIOCYANATES | MERCK PATENT GMBH (DE) | 2022-05-05 | — | — | WO | disclosed |
| WO-2022090109-A1 | AROMATIC ISOTHIOCYANATES | MERCK PATENT GMBH (DE) | 2022-05-05 | — | — | WO | disclosed |
| WO-2022043376-A1 | AROMATIC ISOTHIOCYANATES | MERCK PATENT GMBH (DE) | 2022-03-03 | — | — | WO | disclosed |
| WO-2022008474-A1 | OPTICAL COMPONENT | MERCK PATENT GMBH (DE) | 2022-01-13 | — | — | WO | disclosed |
| WO-2021037962-A1 | AROMATIC ISOTHIOCYANATES | MERCK PATENT GMBH (DE) | 2021-03-04 | — | — | WO | disclosed |
| WO-2020120586-A1 | LIQUID-CRYSTAL MEDIUM | MERCK PATENT GMBH (DE) | 2020-06-18 | — | — | WO | disclosed |