Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.40 |
| ▸ | SCN2A | Q99250 | 2/20 | 0.39 |
| ▸ | HPGDS | O60760 | 2/20 | 0.39 |
| ▸ | SSTR3 | P32745 | 4/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7141176 | 0.91 | CYP1A2 (0.46) | CYP1A2CYP2D6CYP2C19CYP3A4SCN2A | |
| SCHEMBL7135108 | 0.90 | CYP1A2 (0.46) | CYP1A2CYP2D6CYP2C19SCN2AHPGDS | |
| SCHEMBL8110914 | 0.89 | CYP1A2 (0.44) | CYP1A2CYP2D6CYP2C19SCN2AHPGDS | |
| SCHEMBL7138181 | 0.87 | HPGDS (0.49) | CYP1A2CYP2D6CYP2C19CYP3A4SCN2A | |
| SCHEMBL7143456 | 0.86 | SCN2A (0.51) | CYP1A2CYP2D6CYP2C19SCN2AHPGDS | |
| SCHEMBL7140600 | 0.85 | SCN2A (0.52) | CYP1A2CYP2D6CYP2C19SIGMAR1SCN2A | |
| SCHEMBL7138024 | 0.83 | SSTR3 (0.47) | SCN2AHPGDSSSTR3 | |
| SCHEMBL7143626 | 0.82 | BACE1 (0.45) | SCN2AHPGDS | |
| SCHEMBL8189931 | 0.82 | SCN2A (0.50) | CYP1A2CYP2D6CYP2C19SCN2AHPGDS | |
| SCHEMBL8118488 | 0.81 | HPGDS (0.39) | SCN2AHPGDS |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0996443-A1 | CERTAIN DIARYLIMIDAZOLE DERIVATIVES; A NEW CLASS OF NPY SPECIFIC LIGANDS | NEUROGEN CORPORATION (US) | 2000-05-03 | — | — | EP | disclosed |
| WO-1999001128-A1 | CERTAIN DIARYLIMIDAZOLE DERIVATIVES; A NEW CLASS OF NPY SPECIFIC LIGANDS | NEUROGEN CORPORATION (US) | 1999-01-14 | — | — | WO | disclosed |