Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR1 | O14842 | 10/20 | 0.36 |
| ▸ | FFAR4 | Q5NUL3 | 6/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.33 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.32 |
| ▸ | HSP90B1 | P14625 | 1/20 | 0.32 |
| ▸ | TRAP1 | Q12931 | 1/20 | 0.32 |
| ▸ | ACACB | O00763 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | NOS3 | P29474 | 1/20 | 0.30 |
| ▸ | NOS1 | P29475 | 1/20 | 0.30 |
| ▸ | NOS2 | P35228 | 1/20 | 0.30 |
| ▸ | TSPO | P30536 | 1/20 | 0.30 |
| ▸ | DRD3 | P35462 | 1/20 | 0.30 |
| ▸ | KDR | P35968 | 2/20 | 0.30 |
| ▸ | PDGFRB | P09619 | 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 | |
|---|---|---|---|---|
| SCHEMBL30462077 | 0.84 | ACACB (0.39) | FFAR1FFAR4HSP90B1TRAP1ACACB | |
| SCHEMBL20819526 | 0.84 | ACACB (0.39) | FFAR1FFAR4HSP90B1TRAP1ACACB | |
| SCHEMBL23309992 | 0.82 | FFAR1 (0.46) | FFAR1FFAR4GRM4CA12CA2 | |
| SCHEMBL21396283 | 0.80 | GABRA1 (0.41) | FFAR1FFAR4TSPODRD3 | |
| SCHEMBL20834872 | 0.80 | FFAR1 (0.34) | FFAR1FFAR4TSPODRD3 | |
| SCHEMBL20819525 | 0.79 | HTR2A (0.38) | FFAR1FFAR4CA2 | |
| SCHEMBL30462104 | 0.79 | HTR2A (0.38) | FFAR1FFAR4CA2 | |
| SCHEMBL19412665 | 0.76 | FFAR1 (0.32) | FFAR1FFAR4 | |
| SCHEMBL7851688 | 0.73 | FFAR1 (0.47) | FFAR1FFAR4ACACBTSPODRD3 | |
| SCHEMBL20118652 | 0.72 | FFAR1 (0.40) | FFAR1FFAR4ACACBCA12CA2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3681976-B1 | ISOTHIOCYANATO TOLANE DERIVATIVES | MERCK PATENT GMBH (DE) | 2021-05-26 | — | — | EP | disclosed |
| WO-2019052972-A1 | ISOTHIOCYANATO TOLANE DERIVATIVES | MERCK PATENT GMBH (DE) | 2019-03-21 | — | — | WO | disclosed |