Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 3/20 | 0.51 |
| ▸ | CNR2 | P34972 | 8/20 | 0.45 |
| ▸ | CNR1 | P21554 | 3/20 | 0.45 |
| ▸ | BACE1 | P56817 | 1/20 | 0.43 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.42 |
| ▸ | HPGDS | O60760 | 1/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.42 |
| ▸ | VCP | P55072 | 1/20 | 0.42 |
| ▸ | PARP1 | P09874 | 1/20 | 0.42 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7143478 | 0.97 | KCNH2 (0.49) | KCNH2CNR2CNR1BACE1MAP4K4 | |
| SCHEMBL8190593 | 0.96 | KCNH2 (0.48) | KCNH2CNR2CNR1BACE1MAP4K4 | |
| SCHEMBL7138368 | 0.95 | CNR2 (0.47) | KCNH2CNR2CNR1BACE1MAP4K4 | |
| SCHEMBL7139526 | 0.90 | SCN2A (0.50) | KCNH2CNR2CNR1MAP4K4GRIN2B | |
| SCHEMBL8118669 | 0.89 | KCNH2 (0.46) | KCNH2CNR2CNR1BACE1MAP4K4 | |
| SCHEMBL8117997 | 0.88 | SCN2A (0.50) | CNR2CNR1MAP4K4HPGDSVCP | |
| SCHEMBL7142302 | 0.85 | SCN2A (0.52) | CNR2CNR1MAP4K4HPGDSVCP | |
| SCHEMBL7143623 | 0.80 | BACE1 (0.46) | CNR2CNR1BACE1MAP4K4HPGDS | |
| SCHEMBL15605481 | 0.80 | KCNH2 (0.65) | KCNH2BACE1MAP4K4CYP2D6GRIN2B | |
| Hydrochloric Acid SCHEMBL16859458 | 0.79 | KCNH2 (0.64) | KCNH2BACE1MAP4K4CYP2D6GRIN2B |
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-0996443-A1 | CERTAIN DIARYLIMIDAZOLE DERIVATIVES; A NEW CLASS OF NPY SPECIFIC LIGANDS | NEUROGEN CORPORATION (US) | 2000-05-03 | — | — | EP | claimed |
| WO-1999001128-A1 | CERTAIN DIARYLIMIDAZOLE DERIVATIVES; A NEW CLASS OF NPY SPECIFIC LIGANDS | NEUROGEN CORPORATION (US) | 1999-01-14 | — | — | WO | claimed |
| US-6121260-A | Method of treating conditions susceptible to modulation of NPY receptors with diarylimidazole derivatives | NEUROGEN CORPORATION (US) | 2000-09-19 | — | — | US | disclosed |