Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 5/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.43 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.42 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.42 |
| ▸ | MPO | P05164 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | CCR5 | P51681 | 1/20 | 0.40 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 5/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL351842 | 0.83 | ITGB1 (0.40) | P2RX7KDM4EITGB1ITGA4CYP1A2 | |
| SCHEMBL13687253 | 0.82 | CCR5 (0.43) | P2RX7KDM4EITGB1ITGA4CCR5 | |
| SCHEMBL161321 | 0.79 | SIRT3 (0.46) | P2RX7CCR5SLC6A9NOS3NOS2 | |
| SCHEMBL31606794 | 0.79 | SIRT3 (0.46) | P2RX7CCR5SLC6A9NOS3NOS2 | |
| SCHEMBL24571829 | 0.77 | CYP1A2 (0.49) | ITGB1ITGA4CYP1A2SLC6A9ALDH1A1 | |
| Hydrochloric Acid SCHEMBL5012214 | 0.77 | NTRK1 (0.44) | P2RX7CCR5SLC6A9NOS3NOS2 | |
| SCHEMBL9504646 | 0.77 | CA1 (0.36) | P2RX7ITGB1ITGA4CYP2A6CCR5 | |
| SCHEMBL29089331 | 0.77 | NTRK1 (0.44) | P2RX7CCR5SLC6A9NOS3NOS2 | |
| Hydrochloric Acid SCHEMBL5012204 | 0.77 | NTRK1 (0.44) | P2RX7CCR5SLC6A9NOS3NOS2 | |
| Iodide SCHEMBL27448063 | 0.77 | NTRK1 (0.44) | P2RX7CCR5SLC6A9NOS3NOS2 |
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-1492784-A2 | SUBSTITUTED 2,3-DIPHENYL PYRIDINES | Merck & Co., Inc. (US) | 2005-01-05 | — | — | EP | disclosed |
| WO-2003082191-A2 | SUBSTITUTED 2,3-DIPHENYL PYRIDINES | MERCK & CO., INC. (US) | 2003-10-09 | — | — | WO | disclosed |