Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL20834693 | 0.94 | FFAR1 (0.32) | ALDH1A1MAPT | |
| SCHEMBL20834691 | 0.85 | — | — | |
| SCHEMBL20834872 | 0.82 | FFAR1 (0.34) | ALDH1A1POLBMAPT | |
| SCHEMBL20835004 | 0.80 | FFAR1 (0.35) | ALDH1A1POLBMAPT | |
| SCHEMBL23309999 | 0.79 | FFAR1 (0.33) | ALDH1A1POLBMAPT | |
| SCHEMBL20834702 | 0.79 | FFAR1 (0.35) | ALDH1A1POLBMAPT | |
| SCHEMBL23309982 | 0.79 | FFAR1 (0.34) | ALDH1A1POLBMAPT | |
| SCHEMBL26187789 | 0.78 | HSD17B1 (0.39) | ALDH1A1POLBMAPT | |
| SCHEMBL20834892 | 0.77 | FFAR1 (0.34) | ALDH1A1POLBMAPT | |
| SCHEMBL20834952 | 0.77 | FFAR1 (0.32) | — |
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 |
| US-20210122977-A1 | ISOTHIOCYANATO TOLANE DERIVATIVES | MERCK PATENT GMBH (DE) | 2021-04-29 | — | — | US | disclosed |