Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.44 |
| ▸ | CXCR4 | P61073 | 3/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.39 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | KDM1A | O60341 | 2/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.36 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL7369569 | 0.84 | SIGMAR1 (0.47) | SIGMAR1L3MBTL1SLC6A3CYP3A4CYP2D6 | |
| SCHEMBL7371284 | 0.81 | CXCR4 (0.46) | SIGMAR1CXCR4ALDH1A1TSHRL3MBTL1 | |
| SCHEMBL931507 | 0.74 | L3MBTL1 (0.67) | SIGMAR1CXCR4SLC6A4ALDH1A1ALOX15 | |
| SCHEMBL4840472 | 0.73 | L3MBTL1 (0.47) | SIGMAR1CXCR4SLC6A4ALDH1A1ALOX15 | |
| SCHEMBL9472041 | 0.72 | SLC6A4 (0.47) | SIGMAR1CXCR4SLC6A4ALDH1A1ALOX15 | |
| SCHEMBL7369693 | 0.72 | SIGMAR1 (0.41) | SIGMAR1CXCR4SLC6A4ALDH1A1ALOX15 | |
| SCHEMBL29393817 | 0.69 | SIGMAR1 (0.77) | SIGMAR1SLC6A4KCNH2KCNJ1SLC6A3 | |
| SCHEMBL10926657 | 0.69 | SIGMAR1 (0.56) | SIGMAR1SLC6A4ALDH1A1ALOX15TSHR | |
| SCHEMBL9900463 | 0.68 | PLD1 (0.53) | SIGMAR1SLC6A4ALDH1A1TSHRSLC6A2 | |
| SCHEMBL27919326 | 0.68 | CXCR4 (0.45) | CXCR4ALDH1A1CYP2D6MEN1KMT2A |
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 |