Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 4/20 | 0.47 |
| ▸ | NOS3 | P29474 | 2/20 | 0.44 |
| ▸ | NOS2 | P35228 | 2/20 | 0.44 |
| ▸ | CA12 | O43570 | 3/20 | 0.41 |
| ▸ | CA2 | P00918 | 3/20 | 0.41 |
| ▸ | CA9 | Q16790 | 3/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | ACACB | O00763 | 1/20 | 0.40 |
| ▸ | ADK | P55263 | 2/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | APP | P05067 | 1/20 | 0.35 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.35 |
| ▸ | MTOR | P42345 | 1/20 | 0.35 |
| ▸ | NOS1 | P29475 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8340910 | 0.81 | GRM4 (0.51) | GRM5APPNOS1 | |
| SCHEMBL9854902 | 0.80 | GRM5 (0.48) | GRM5CA12CA2CA9CA1 | |
| SCHEMBL14129682 | 0.77 | GRM5 (0.53) | GRM5NOS3NOS2CA12CA2 | |
| SCHEMBL12353122 | 0.77 | GRM5 (0.59) | GRM5CA12CA2CA9CA1 | |
| SCHEMBL30525699 | 0.77 | SMN1; SMN2 (0.40) | CA2ACACBNOS1 | |
| SCHEMBL24538233 | 0.77 | SMN1; SMN2 (0.40) | CA2ACACBNOS1 | |
| SCHEMBL1105471 | 0.73 | GRM5 (0.53) | GRM5CA12CA2CA9CA1 | |
| SCHEMBL24538221 | 0.72 | GRM5 (0.41) | GRM5CA12CA2CA9CA1 | |
| SCHEMBL9495233 | 0.71 | GRM5 (0.47) | GRM5ACACBADK | |
| SCHEMBL4457730 | 0.71 | GRM5 (0.64) | GRM5CA12CA2CA9CA1 |
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 1 patent. 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 |