Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 8/20 | 0.46 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.45 |
| ▸ | ATR | Q13535 | 1/20 | 0.44 |
| ▸ | KDM1A | O60341 | 1/20 | 0.43 |
| ▸ | GABRG2 | P18507 | 3/20 | 0.42 |
| ▸ | GABRB3 | P28472 | 3/20 | 0.42 |
| ▸ | GABRA5 | P31644 | 3/20 | 0.42 |
| ▸ | GABRA3 | P34903 | 3/20 | 0.42 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.42 |
| ▸ | IDO1 | P14902 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | BACE1 | P56817 | 1/20 | 0.40 |
| ▸ | XDH | P47989 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL5202441 | 0.99 | GRM5 (0.45) | GRM5IRAK4ATRKDM1AGABRG2 | |
| SCHEMBL5201644 | 0.81 | GRM5 (0.67) | GRM5GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL5204805 | 0.81 | KEAP1 (0.51) | GRM5 | |
| SCHEMBL14988208 | 0.78 | KDM1A (0.64) | GRM5ATRKDM1AGABRG2GABRB3 | |
| SCHEMBL2391955 | 0.77 | GRM5 (0.67) | GRM5GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL2394342 | 0.73 | GRM5 (0.56) | GRM5IRAK4GABRG2GABRB3GABRA5 | |
| SCHEMBL19700914 | 0.71 | HDAC2 (0.48) | GRM5GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL27930378 | 0.70 | ADORA2A (0.49) | KDM1AXDH | |
| SCHEMBL2398328 | 0.68 | GRM5 (0.62) | GRM5IRAK4CA12CA1CA2 | |
| SCHEMBL23026391 | 0.68 | CYP19A1 (0.52) | GRM5ATRGABRG2GABRB3GABRA5 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1458708-B1 | HETEROARYL SUBSTITUTED TRIAZOLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 | MERCK & CO INC (US) | 2007-09-26 | — | — | EP | claimed |