Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.39 |
| ▸ | HTR3B | O95264 | 1/20 | 0.39 |
| ▸ | HTR3A | P46098 | 1/20 | 0.39 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.39 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.39 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.38 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 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 | |
|---|---|---|---|---|
| SCHEMBL7680047 | 1.00 | HTR3E (0.39) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| SCHEMBL6941357 | 1.00 | HTR3E (0.39) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| SCHEMBL6941249 | 0.85 | CHRNB4 (0.36) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| SCHEMBL7678641 | 0.78 | GBA1 (0.46) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| SCHEMBL6944308 | 0.78 | GBA1 (0.46) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| SCHEMBL6944306 | 0.78 | GBA1 (0.46) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| SCHEMBL10429574 | 0.75 | GBA1 (0.43) | CHRNB4CHRNA3 | |
| Hydrochloric Acid SCHEMBL5672686 | 0.70 | CHRNB4 (0.42) | CHRNB4CHRNA3 | |
| SCHEMBL4577960 | 0.68 | GBA1 (0.55) | SLC6A4SLC6A2SLC6A3 | |
| SCHEMBL13791895 | 0.68 | GBA1 (0.55) | SLC6A4SLC6A2SLC6A3 |
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 |