Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 10/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.57 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.46 |
| ▸ | MBTD1 | Q05BQ5 | 1/20 | 0.46 |
| ▸ | L3MBTL3 | Q96JM7 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL13569223 | 0.84 | HRH3 (0.72) | HRH3CYP1A2CYP2D6L3MBTL1MBTD1 | |
| SCHEMBL23530205 | 0.83 | HRH3 (0.47) | HRH3CYP1A2CYP2D6L3MBTL1MBTD1 | |
| SCHEMBL2886050 | 0.83 | CYP1A2 (0.73) | HRH3CYP1A2CYP2D6L3MBTL1MBTD1 | |
| SCHEMBL21414430 | 0.77 | HRH3 (0.58) | HRH3CYP1A2CYP2D6SIGMAR1 | |
| SCHEMBL7399231 | 0.77 | HRH3 (0.50) | HRH3CYP1A2CYP2D6L3MBTL1MBTD1 | |
| SCHEMBL23530102 | 0.75 | LTA4H (0.63) | HRH3 | |
| SCHEMBL12668355 | 0.74 | CYP1A2 (0.75) | HRH3CYP1A2CYP2D6L3MBTL1MBTD1 | |
| SCHEMBL6921327 | 0.74 | HRH3 (0.72) | HRH3CYP1A2CYP2D6L3MBTL1MBTD1 | |
| SCHEMBL13990825 | 0.74 | HRH3 (1.00) | HRH3CYP1A2CYP2D6L3MBTL1MBTD1 | |
| SCHEMBL4625412 | 0.73 | HRH3 (0.54) | HRH3CYP1A2CYP2D6L3MBTL1MBTD1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2002042305-A1 | NITROGEN SUBSTITUTED 1,2,4-TRIAZOLO[3,4-A]PHTHALAZINE DERIVATIVES FOR ENHANCING COGNITION | MERCK SHARP & DOHME LIMITED (GB) | 2002-05-30 | — | — | WO | disclosed |