Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 8/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.49 |
| ▸ | MBTD1 | Q05BQ5 | 1/20 | 0.49 |
| ▸ | L3MBTL3 | Q96JM7 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL4625412 | 0.97 | HRH3 (0.54) | HRH3CYP1A2CYP2D6L3MBTL1MBTD1 | |
| SCHEMBL227159 | 0.95 | HRH3 (0.56) | HRH3CYP1A2CYP2D6L3MBTL1MBTD1 | |
| SCHEMBL2930854 | 0.85 | CHRNB2 (0.51) | HRH3CYP1A2CYP2D6TDP1CYP3A4 | |
| SCHEMBL2532973 | 0.85 | SIGMAR1 (0.53) | HRH3L3MBTL3SIGMAR1 | |
| SCHEMBL29725200 | 0.79 | HRH3 (0.55) | HRH3CYP2D6L3MBTL1MBTD1L3MBTL3 | |
| SCHEMBL3869875 | 0.79 | HRH3 (0.55) | HRH3CYP2D6L3MBTL1MBTD1L3MBTL3 | |
| SCHEMBL1858355 | 0.77 | HRH3 (0.59) | HRH3CYP2D6TDP1 | |
| SCHEMBL31093419 | 0.77 | HRH3 (0.59) | HRH3CYP2D6TDP1 | |
| SCHEMBL7408809 | 0.77 | HRH3 (0.59) | HRH3CYP1A2CYP2D6L3MBTL1MBTD1 | |
| SCHEMBL8281118 | 0.76 | HRH3 (0.61) | 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 |