Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 2/20 | 0.51 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.50 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.50 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.39 |
| ▸ | FPR2 | P25090 | 1/20 | 0.37 |
| ▸ | PROKR1 | Q8TCW9 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5452433 | 0.82 | SLC6A4 (0.47) | KCNH2SLC6A4SLC6A2SLC6A3 | |
| SCHEMBL5452431 | 0.82 | SLC6A4 (0.47) | KCNH2SLC6A4SLC6A2SLC6A3 | |
| SCHEMBL7001856 | 0.81 | SLC6A2 (0.46) | SLC6A4SLC6A2SLC6A3 | |
| SCHEMBL4577960 | 0.81 | GBA1 (0.55) | SLC6A4SLC6A2SLC6A3 | |
| SCHEMBL13803916 | 0.81 | GBA1 (0.55) | SLC6A4SLC6A2SLC6A3 | |
| SCHEMBL13803960 | 0.81 | GBA1 (0.55) | SLC6A4SLC6A2SLC6A3 | |
| SCHEMBL13791895 | 0.81 | GBA1 (0.55) | SLC6A4SLC6A2SLC6A3 | |
| SCHEMBL12076803 | 0.81 | GBA1 (0.55) | SLC6A4SLC6A2SLC6A3 | |
| SCHEMBL5870737 | 0.81 | PRMT5 (0.43) | KCNH2SLC6A4SLC6A2SLC6A3FPR2 | |
| Hydrochloric Acid SCHEMBL3884381 | 0.80 | CHRM1 (0.45) | SLC6A4SLC6A2 |
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-1244450-A4 | 8-AZA-BICYCLO[3.2.1]OCTANE NMDA/NR2B ANTAGONISTS | MERCK & CO INC (US) | 2003-03-19 | — | — | EP | disclosed |
| EP-1244450-A1 | 8-AZA-BICYCLO[3.2.1]OCTANE NMDA/NR2B ANTAGONISTS | Merck & Co., Inc. (US) | 2002-10-02 | — | — | EP | disclosed |
| US-6432976-B1 | ANALGESICS; SIDE EFFECT REDUCTION | MERCK & CO., INC. | 2002-08-13 | — | — | US | disclosed |
| WO-2001032179-A1 | 8-AZA-BICYCLO[3.2.1]OCTANE NMDA/NR2B ANTAGONISTS | MERCK & CO., INC. (US) | 2001-05-10 | — | — | WO | disclosed |