Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 13/20 | 1.00 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.75 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.75 |
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 SCHEMBL7419836 | 0.99 | GRM5 (0.97) | GRM5CYP1A2CYP2D6 | |
| SCHEMBL7426306 | 0.88 | GRM5 (1.00) | GRM5CYP1A2CYP2D6 | |
| Hydrochloric Acid SCHEMBL7377653 | 0.87 | GRM5 (0.97) | GRM5CYP1A2CYP2D6 | |
| SCHEMBL30273059 | 0.86 | GRM5 (1.00) | GRM5CYP1A2CYP2D6 | |
| SCHEMBL187254 | 0.86 | GRM5 (1.00) | GRM5CYP1A2CYP2D6 | |
| Hydrochloric Acid SCHEMBL1803964 | 0.85 | GRM5 (0.97) | GRM5CYP1A2CYP2D6 | |
| SCHEMBL11966034 | 0.84 | GRM5 (0.76) | GRM5CYP1A2CYP2D6 | |
| SCHEMBL11966072 | 0.84 | GRM5 (0.76) | GRM5CYP1A2CYP2D6 | |
| SCHEMBL7425186 | 0.84 | GRM5 (0.78) | GRM5CYP1A2CYP2D6 | |
| Hydrochloric Acid SCHEMBL7425233 | 0.83 | GRM5 (0.76) | GRM5CYP1A2CYP2D6 |
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-1214303-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF | Merck & Co., Inc. (US) | 2002-06-19 | — | — | EP | disclosed |
| WO-2001016121-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF | MERCK & CO., INC. (US) | 2001-03-08 | — | — | WO | disclosed |