Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MBTPS1 | Q14703 | 9/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 9/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 7/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 5/20 | 0.37 |
| ▸ | TACR1 | P25103 | 1/20 | 0.36 |
| ▸ | F10 | P00742 | 1/20 | 0.35 |
| ▸ | PLAU | P00749 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.35 |
| ▸ | PIK3CD | O00329 | 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 | |
|---|---|---|---|---|
| SCHEMBL19260910 | 0.79 | OPRM1 (0.45) | MBTPS1SLC6A4SLC6A2SLC6A3CYP2D6 | |
| SCHEMBL25104099 | 0.76 | MAPKAPK2 (0.50) | SLC6A4SLC6A2SLC6A3CYP2D6KCNH2 | |
| SCHEMBL30929286 | 0.76 | MAPKAPK2 (0.50) | SLC6A4SLC6A2SLC6A3CYP2D6KCNH2 | |
| SCHEMBL14417237 | 0.76 | SLC6A4 (0.50) | SLC6A4SLC6A2SLC6A3TACR1CYP2D6 | |
| SCHEMBL2800413 | 0.75 | L3MBTL1 (0.42) | MBTPS1SLC6A4SLC6A2SLC6A3CYP2D6 | |
| SCHEMBL5535246 | 0.74 | TACR1 (0.45) | MBTPS1SLC6A4SLC6A2SLC6A3TACR1 | |
| SCHEMBL6118690 | 0.73 | SLC6A4 (0.45) | SLC6A4SLC6A2SLC6A3CYP2D6KCNH2 | |
| SCHEMBL20674336 | 0.73 | SLC6A4 (0.35) | SLC6A4SLC6A2SLC6A3TACR1CYP2D6 | |
| SCHEMBL2797793 | 0.72 | LMNA (0.48) | — | |
| SCHEMBL29017156 | 0.72 | GPR119 (0.38) | SLC6A4SLC6A2SLC6A3TACR1CYP2D6 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1641423-A4 | BENZODIAZEPINE CGRP RECEPTOR ANTAGONISTS | MERCK & CO INC (US) | 2008-09-10 | — | — | EP | disclosed |
| EP-1641423-A2 | BENZODIAZEPINE CGRP RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 2006-04-05 | — | — | EP | disclosed |
| WO-2005013894-A2 | BENZODIAZEPINE CGRP RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2005-02-17 | — | — | WO | disclosed |