Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL24940712 | 0.84 | USP2 (0.30) | — | |
| SCHEMBL24940737 | 0.80 | ALDH1A1 (0.30) | ALDH1A1MAPTHTT | |
| SCHEMBL24940677 | 0.79 | FFAR1 (0.37) | — | |
| SCHEMBL24940751 | 0.77 | FFAR1 (0.35) | ALDH1A1MAPTHTT | |
| SCHEMBL20834932 | 0.77 | FFAR1 (0.40) | ALDH1A1MAPTPOLBHTT | |
| SCHEMBL24940692 | 0.76 | FFAR1 (0.35) | ALDH1A1MAPT | |
| SCHEMBL26943021 | 0.76 | HSD17B10 (0.47) | ALDH1A1 | |
| SCHEMBL21399529 | 0.75 | ALDH1A1 (0.39) | CYP2A6ALDH1A1 | |
| SCHEMBL19465072 | 0.75 | ALDH1A1 (0.39) | CYP2A6ALDH1A1 | |
| SCHEMBL24939923 | 0.75 | FFAR1 (0.34) | MAPTHTT |
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 |
|---|---|---|---|---|---|---|---|
| EP-3681976-B1 | ISOTHIOCYANATO TOLANE DERIVATIVES | MERCK PATENT GMBH (DE) | 2021-05-26 | — | — | EP | disclosed |
| US-20210122977-A1 | ISOTHIOCYANATO TOLANE DERIVATIVES | MERCK PATENT GMBH (DE) | 2021-04-29 | — | — | US | disclosed |
| WO-2019052972-A1 | ISOTHIOCYANATO TOLANE DERIVATIVES | MERCK PATENT GMBH (DE) | 2019-03-21 | — | — | WO | disclosed |