Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPBAR1 | Q8TDU6 | 2/20 | 0.36 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.33 |
| ▸ | PTGES2 | Q9H7Z7 | 1/20 | 0.33 |
| ▸ | GRM5 | P41594 | 1/20 | 0.32 |
| ▸ | MAOA | P21397 | 2/20 | 0.32 |
| ▸ | MAOB | P27338 | 2/20 | 0.32 |
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.32 |
| ▸ | CIT | O14578 | 1/20 | 0.31 |
| ▸ | HIPK4 | Q8NE63 | 1/20 | 0.31 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.31 |
| ▸ | BMP2K | Q9NSY1 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | DPP4 | P27487 | 1/20 | 0.31 |
| ▸ | TRPA1 | O75762 | 3/20 | 0.30 |
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 SCHEMBL6819766 | 0.81 | MAOB (0.45) | GPBAR1P2RX7PTGES2GRM5MAOA | |
| SCHEMBL6921204 | 0.80 | F2 (0.40) | GPBAR1AAK1KMT2A | |
| SCHEMBL6916861 | 0.78 | CYP3A4 (0.45) | GPBAR1 | |
| SCHEMBL6921736 | 0.78 | CYP3A4 (0.45) | GPBAR1 | |
| SCHEMBL6919934 | 0.78 | CYP3A4 (0.45) | GPBAR1 | |
| SCHEMBL6918997 | 0.78 | CYP3A4 (0.45) | GPBAR1 | |
| SCHEMBL6918706 | 0.77 | GPBAR1 (0.36) | GPBAR1MAOAMAOBDPP4 | |
| SCHEMBL6914935 | 0.71 | GPBAR1 (0.34) | GPBAR1AAK1TRPA1 | |
| SCHEMBL6921239 | 0.70 | F2 (0.38) | GPBAR1AAK1KMT2A | |
| SCHEMBL6922183 | 0.69 | CYP3A4 (0.48) | GPBAR1 |
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-2004032834-A2 | THROMBIN INHIBITORS | MERCK & CO., INC. (US) | 2004-04-22 | — | — | WO | claimed |