Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.39 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.37 |
| ▸ | HRH2 | P25021 | 1/20 | 0.37 |
| ▸ | HRH1 | P35367 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | LTA4H | P09960 | 1/20 | 0.35 |
| ▸ | CXCR4 | P61073 | 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 | |
|---|---|---|---|---|
| SCHEMBL7368119 | 0.85 | HRH3 (0.46) | SIGMAR1L3MBTL1SLC6A3HRH3CYP2D6 | |
| SCHEMBL2265000 | 0.85 | HRH3 (0.50) | SIGMAR1L3MBTL1SLC6A3HRH3CYP2D6 | |
| SCHEMBL7369687 | 0.84 | CYP1A2 (0.51) | SIGMAR1L3MBTL1SLC6A3HRH3CYP2D6 | |
| SCHEMBL7367987 | 0.81 | SIGMAR1 (0.42) | SIGMAR1ALDH1A1POLBKCNH2HRH3 | |
| SCHEMBL6232146 | 0.75 | KCNH2 (0.55) | SIGMAR1SLC6A4L3MBTL1POLBSMN1; SMN2 | |
| SCHEMBL931507 | 0.74 | L3MBTL1 (0.67) | SIGMAR1SLC6A4ALDH1A1ALOX15TSHR | |
| SCHEMBL7370547 | 0.72 | SIGMAR1 (0.44) | SIGMAR1SLC6A4ALDH1A1ALOX15TSHR | |
| SCHEMBL4837036 | 0.70 | SIGMAR1 (0.41) | SIGMAR1SLC6A4ALDH1A1ALOX15TSHR | |
| SCHEMBL182711 | 0.68 | PLD1 (0.53) | SIGMAR1SLC6A4ALDH1A1TSHRSMN1; SMN2 | |
| SCHEMBL22266244 | 0.68 | SIGMAR1 (0.43) | SIGMAR1SLC6A4ALDH1A1ALOX15TSHR |
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-1235829-A2 | PYRAZOLO 1,5-D] 1,2,4]TRIAZINES FOR ENHANCING COGNITION | MERCK SHARP & DOHME LTD. (GB) | 2002-09-04 | — | — | EP | disclosed |
| US-6355638-B1 | COGNITION ACTIVATORS | MERCK SHARP & DOHME LTD. (GB) | 2002-03-12 | — | — | US | disclosed |
| WO-2001038331-A2 | PYRAZOLO[1,5-D][1,2,4]TRIAZINES FOR ENHANCING COGNITION | MERCK SHARP & DOHME LIMITED (GB) | 2001-05-31 | — | — | WO | disclosed |