Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 1/20 | 0.41 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.41 |
| ▸ | FFAR1 | O14842 | 8/20 | 0.34 |
| ▸ | FFAR4 | Q5NUL3 | 7/20 | 0.34 |
| ▸ | TSPO | P30536 | 1/20 | 0.30 |
| ▸ | DRD3 | P35462 | 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 | |
|---|---|---|---|---|
| SCHEMBL23310000 | 0.91 | GABRA1 (0.35) | GABRA1GABRB2FFAR1FFAR4 | |
| SCHEMBL20835008 | 0.89 | GABRA1 (0.34) | GABRA1GABRB2FFAR1FFAR4 | |
| SCHEMBL23309987 | 0.88 | TYR (0.34) | GABRA1GABRB2FFAR1FFAR4 | |
| SCHEMBL20834941 | 0.85 | GABRA1 (0.38) | GABRA1GABRB2FFAR1FFAR4 | |
| SCHEMBL20834906 | 0.83 | GABRA1 (0.36) | GABRA1GABRB2FFAR1FFAR4 | |
| SCHEMBL20835009 | 0.82 | FFAR1 (0.33) | GABRA1GABRB2FFAR1FFAR4 | |
| SCHEMBL20834869 | 0.82 | GABRA1 (0.41) | GABRA1GABRB2FFAR1FFAR4TSPO | |
| SCHEMBL21396283 | 0.82 | GABRA1 (0.41) | GABRA1GABRB2FFAR1FFAR4TSPO | |
| SCHEMBL23309991 | 0.82 | GABRA1 (0.50) | GABRA1GABRB2FFAR1FFAR4TSPO | |
| SCHEMBL20834701 | 0.79 | GABRA1 (0.38) | GABRA1GABRB2FFAR1FFAR4TSPO |
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 |