Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | CLK2 | P49760 | 1/20 | 0.32 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.32 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL29178204 | 0.78 | CYP2A6 (0.41) | ALDH1A1CYP2A6MEN1KMT2AFFAR1 | |
| SCHEMBL1476848 | 0.77 | GRM5 (0.46) | GRM5CYP2A6 | |
| SCHEMBL1477046 | 0.77 | GRM5 (0.55) | GRM5ALOX15HTT | |
| Hydrochloric Acid SCHEMBL1477310 | 0.76 | GRM5 (0.45) | GRM5CYP2A6 | |
| SCHEMBL30635286 | 0.75 | CYP2A6 (0.50) | ALDH1A1CYP2A6FFAR1ALDH1A3HSD17B10 | |
| SCHEMBL30635304 | 0.75 | CYP2A6 (0.50) | ALDH1A1CYP2A6FFAR1ALDH1A3HSD17B10 | |
| SCHEMBL8384841 | 0.75 | CYP2A6 (0.50) | ALDH1A1CYP2A6FFAR1ALDH1A3HSD17B10 | |
| SCHEMBL3664755 | 0.74 | CYP2A6 (0.47) | ALDH1A1CYP2A6POLBHCAR2MEN1 | |
| SCHEMBL29395469 | 0.73 | ALDH5A1 (0.50) | ALDH1A1CYP2A6FFAR1ALDH1A3HSD17B10 | |
| SCHEMBL1477063 | 0.73 | CHRNB2 (0.42) | GRM5ALDH1A1FFAR1 |
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-1729771-B1 | PYRIDYL DERIVATIVES AND THEIR USE AS MGLU5 RECEPTOR ANTAGONISTS | LILLY CO ELI (US) | 2009-10-14 | — | — | EP | claimed |
| EP-1729771-B1 | PYRIDYL DERIVATIVES AND THEIR USE AS MGLU5 RECEPTOR ANTAGONISTS | LILLY CO ELI (US) | 2009-10-14 | — | — | EP | disclosed |