Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 6/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 7/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | L3MBTL3 | Q96JM7 | 6/20 | 0.37 |
| ▸ | MBTD1 | Q05BQ5 | 2/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.37 |
| ▸ | TP53BP1 | Q12888 | 1/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2265000 | 0.97 | HRH3 (0.50) | HRH3CYP1A2CYP2D6L3MBTL1TDP1 | |
| SCHEMBL7369687 | 0.95 | CYP1A2 (0.51) | HRH3CYP1A2CYP2D6L3MBTL1TDP1 | |
| SCHEMBL7367987 | 0.85 | SIGMAR1 (0.42) | HRH3CYP1A2CYP2D6L3MBTL3SIGMAR1 | |
| SCHEMBL7369693 | 0.85 | SIGMAR1 (0.41) | HRH3CYP1A2CYP2D6L3MBTL1CYP3A4 | |
| SCHEMBL28322648 | 0.79 | HRH3 (0.42) | HRH3CYP1A2L3MBTL1L3MBTL3MBTD1 | |
| SCHEMBL7370699 | 0.70 | — | — | |
| SCHEMBL3045246 | 0.70 | — | — | |
| SCHEMBL27625038 | 0.70 | — | — | |
| SCHEMBL533253 | 0.70 | — | — | |
| SCHEMBL6797667 | 0.70 | — | — |
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 |