Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B2 | P19099 | 3/20 | 0.61 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.56 |
| ▸ | CYP2A6 | P11509 | 6/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.52 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.52 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.52 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.50 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.49 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.49 |
| ▸ | GRM5 | P41594 | 2/20 | 0.49 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.47 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.47 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL13907278 | 0.89 | CYP2A6 (0.62) | CYP2A6CYP2C9CYP2B6CYP2C19CYP2D6 | |
| Water SCHEMBL28116587 | 0.85 | — | — | |
| SCHEMBL28776 | 0.85 | — | — | |
| Water SCHEMBL4803706 | 0.85 | CYP11B2 (0.61) | CYP11B2CYP19A1CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL29434996 | 0.85 | — | — | |
| SCHEMBL2014183 | 0.85 | CYP11B2 (0.61) | CYP11B2CYP19A1CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL3796332 | 0.85 | CYP2A6 (0.67) | CYP2A6CYP2C9CYP2B6CYP2C19CYP2D6 | |
| SCHEMBL1477185 | 0.85 | GRM5 (0.50) | CYP11B2CYP2A6CYP2C9CYP2B6CYP2C19 | |
| Hydrochloric Acid SCHEMBL1477750 | 0.83 | CYP2A6 (0.50) | CYP11B2CYP2A6CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL401836 | 0.83 | GRM5 (0.64) | CYP2A6CYP2C9CYP2B6CYP2C19CYP2D6 |
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 |