Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 1/20 | 0.55 |
| ▸ | BCHE | P06276 | 1/20 | 0.52 |
| ▸ | ACHE | P22303 | 1/20 | 0.52 |
| ▸ | BACE1 | P56817 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL8825473 | 0.87 | SLC6A3 (0.56) | — | |
| SCHEMBL4848099 | 0.84 | ALDH1A1 (0.64) | CXCR4BCHEACHEBACE1 | |
| SCHEMBL3600688 | 0.83 | HTR2A (0.57) | — | |
| SCHEMBL14398343 | 0.83 | ALDH1A1 (0.56) | CXCR4ACHEBACE1 | |
| Hydrochloric Acid SCHEMBL29525233 | 0.83 | ALDH1A1 (0.62) | CXCR4BCHEACHEBACE1 | |
| SCHEMBL1505926 | 0.83 | — | — | |
| SCHEMBL2673348 | 0.83 | CXCR4 (0.47) | CXCR4ACHE | |
| SCHEMBL8108384 | 0.82 | BCHE (0.55) | BCHEACHEBACE1 | |
| SCHEMBL2852933 | 0.82 | BCHE (0.55) | BCHEACHEBACE1 | |
| SCHEMBL1061878 | 0.82 | CCR3 (0.71) | CXCR4BCHEACHEBACE1 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011078370-A1 | NOVEL PARABANIC ACID DERIVATIVE AND DRUG HAVING THE SAME AS ACTIVE INGREDIENT | 杏林製薬株式会社 (JP) | 2011-06-30 | — | — | WO | disclosed |
| EP-1399160-A4 | NR2B RECEPTOR ANTAGONISTS FOR THE TREATMENT OR PREVENTION OF MIGRAINES | MERCK & CO INC (US) | 2004-08-25 | — | — | EP | disclosed |
| EP-1399160-A2 | NR2B RECEPTOR ANTAGONISTS FOR THE TREATMENT OR PREVENTION OF MIGRAINES | Merck & Co., Inc. (US) | 2004-03-24 | — | — | EP | disclosed |
| EP-1379520-A1 | N-SUBSTITUTED NONARYL-HETEROCYCLIC NMDA/NR2B ANTAGONISTS | Merck & Co., Inc. (US) | 2004-01-14 | — | — | EP | disclosed |
| WO-2002100352-A2 | NR2B RECEPTOR ANTAGONISTS FOR THE TREATMENT OR PREVENTION OF MIGRAINES | MERCK & CO., INC. (US) | 2002-12-19 | — | — | WO | disclosed |
| WO-2002068409-A1 | N-SUBSTITUTED NONARYL-HETEROCYCLIC NMDA/NR2B ANTAGONISTS | MERCK & CO., INC. (US) | 2002-09-06 | — | — | WO | disclosed |
| EP-0760368-B1 | PYRIMIDINE DERIVATIVES | NISSHIN FLOUR MILLING CO (JP) | 1999-07-28 | — | — | EP | disclosed |
| US-5736550-A | TREATMENT OF GASTROINTESTINAL TRACT DISORDERS | NISSHIN FLOUR MILLING CO., LTD. (JP) | 1998-04-07 | — | — | US | disclosed |
| EP-0760368-A1 | NOVEL PYRIMIDINE DERIVATIVE | NISSHIN FLOUR MILLING CO., LTD. (JP) | 1997-03-05 | — | — | EP | disclosed |