Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | REN | P00797 | 7/20 | 0.39 |
| ▸ | CTSD | P07339 | 2/20 | 0.39 |
| ▸ | CTSE | P14091 | 2/20 | 0.39 |
| ▸ | PGC | P20142 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6941270 | 0.85 | GBA1 (0.42) | — | |
| SCHEMBL5870697 | 0.84 | SLC6A2 (0.40) | SLC6A4SLC6A2SLC6A3 | |
| SCHEMBL18625008 | 0.73 | HSP90AA1 (0.42) | ALDH1A1 | |
| SCHEMBL18603202 | 0.73 | HSP90AA1 (0.42) | ALDH1A1 | |
| SCHEMBL6980342 | 0.71 | LMNA (0.36) | ALDH1A1 | |
| SCHEMBL18790507 | 0.70 | CXCR3 (0.39) | RENALDH1A1 | |
| SCHEMBL22901947 | 0.69 | ALDH1A1 (0.33) | RENCTSDCTSEPGCALDH1A1 | |
| SCHEMBL6942011 | 0.68 | KCNH2 (0.51) | ALDH1A1SLC6A4SLC6A2SLC6A3 | |
| SCHEMBL6979816 | 0.68 | TSHR (0.38) | RENCTSDCTSEPGCALDH1A1 | |
| SCHEMBL21565752 | 0.65 | POLB (0.47) | ALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1248617-A4 | 2-AZA-BICYCLO 2.2.2]OCTANE NMDA/NR2B ANTAGONISTS | MERCK & CO INC (US) | 2003-03-05 | — | — | EP | disclosed |
| US-6489477-B1 | NMDA NR2B ANTAGONISTS. ACCORDINGLY, ANOTHER ASPECT OF THE INVENTION IS THE TREATMENT OF PAIN, MIGRAINE, DEPRESSION, ANXIETY, SCHIZOPHRENIA, PARKINSON'S DISEASE, OR STROKE--MALADIES THAT ARE AMENABLE TO AMELIORATION THROUGH | MERCK & CO., INC. | 2002-12-03 | — | — | US | disclosed |
| EP-1248617-A1 | 2-AZA-BICYCLO 2.2.2]OCTANE NMDA/NR2B ANTAGONISTS | Merck & Co., Inc. (US) | 2002-10-16 | — | — | EP | disclosed |
| WO-2001032177-A1 | 2-AZA-BICYCLO[2.2.2]OCTANE NMDA/NR2B ANTAGONISTS | MERCK & CO., INC. (US) | 2001-05-10 | — | — | WO | disclosed |