Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 1/20 | 0.35 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL24538287 | 0.82 | GABRA1 (0.33) | GABRA1GABRB2LMNAMAPT | |
| SCHEMBL28617554 | 0.78 | GABRA1 (0.32) | GABRA1GABRB2 | |
| SCHEMBL16476670 | 0.75 | ALDH1A1 (0.41) | ALDH1A1MAPK1SMN1; SMN2POLBLMNA | |
| SCHEMBL24538284 | 0.74 | GABRA1 (0.36) | GABRA1GABRB2 | |
| SCHEMBL24553946 | 0.73 | CCR1 (0.43) | GABRA1GABRB2 | |
| SCHEMBL24553957 | 0.73 | — | — | |
| SCHEMBL1021835 | 0.69 | GABRA1 (0.37) | GABRA1GABRB2ALDH1A1 | |
| SCHEMBL1457304 | 0.69 | ALDH1A1 (0.39) | GABRA1GABRB2ALDH1A1MAPT | |
| SCHEMBL191977 | 0.68 | ALDH1A1 (0.36) | GABRA1GABRB2ALDH1A1POLB | |
| SCHEMBL10394994 | 0.67 | POLB (0.37) | ALDH1A1MAPK1POLBLMNAMAPT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022129018-A1 | HETEROAROMATIC ISOTHIOCYANATES | MERCK PATENT GMBH (DE) | 2022-06-23 | — | — | WO | disclosed |
| WO-2022128845-A1 | HETEROAROMATIC ISOTHIOCYANATES | MERCK PATENT GMBH (DE) | 2022-06-23 | — | — | WO | disclosed |