Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HCRTR2 | O43614 | 2/20 | 0.32 |
| ▸ | BCHE | P06276 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.31 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.31 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.31 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.31 |
| ▸ | HTR2C | P28335 | 1/20 | 0.30 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
| ▸ | USP2 | O75604 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Ethylene SCHEMBL6948006 | 0.77 | SIGMAR1 (0.43) | ALDH1A1SIGMAR1CYP2D6CYP2C19KMT2A | |
| SCHEMBL4048746 | 0.68 | HTR2A (0.39) | HTR2AALDH1A1MAPTHTR2CKCNH2 | |
| SCHEMBL4048749 | 0.68 | HTR2A (0.39) | HTR2AALDH1A1MAPTHTR2CKCNH2 | |
| SCHEMBL31045768 | 0.68 | ALDH1A1 (0.41) | HTR2AALDH1A1MAPTMT-CO2ALOX5 | |
| SCHEMBL31045593 | 0.65 | HTT (0.50) | HTR2AALDH1A1MAPTHTR2CKCNH2 | |
| SCHEMBL4048736 | 0.65 | HTT (0.50) | HTR2AALDH1A1MAPTHTR2CKCNH2 | |
| SCHEMBL31045620 | 0.64 | ALDH1A1 (0.40) | HTR2AALDH1A1MAPTHCRTR2HCRTR1 | |
| SCHEMBL6945886 | 0.61 | ALDH1A1 (0.41) | HTR2AALDH1A1MAPTHTR2CKCNH2 | |
| SCHEMBL15817558 | 0.61 | ALDH1A1 (0.44) | ALDH1A1SIGMAR1MT-CO2ALOX5CYP3A4 | |
| Ethylene SCHEMBL6675160 | 0.61 | LMNA (0.44) | CYP3A4 |
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 |