Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | PDE4A | P27815 | 1/20 | 0.35 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.35 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.35 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4071076 | 0.81 | NPC1 (0.39) | BRD4NPC1MAPT | |
| SCHEMBL27007188 | 0.81 | PDE4B (0.37) | BRD4MAPTPDE4APDE4BPDE4C | |
| SCHEMBL30226608 | 0.81 | PDE4B (0.37) | BRD4MAPTPDE4APDE4BPDE4C | |
| SCHEMBL31174250 | 0.81 | VDR (0.48) | NPC1TP53MAPTPOLBTDP1 | |
| SCHEMBL900164 | 0.81 | VDR (0.48) | NPC1TP53MAPTPOLBTDP1 | |
| SCHEMBL31174248 | 0.81 | VDR (0.48) | NPC1TP53MAPTPOLBTDP1 | |
| SCHEMBL6943964 | 0.81 | CYP1A2 (0.42) | MAPT | |
| SCHEMBL2739958 | 0.76 | KDM4E (0.44) | BRD4 | |
| SCHEMBL9975919 | 0.76 | BRD4 (0.40) | BRD4 | |
| SCHEMBL3311841 | 0.76 | MAPT (0.41) | BRD4NPC1MAPT |
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 |