Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.70 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.70 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.70 |
| ▸ | MEN1 | O00255 | 4/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.53 |
| ▸ | POLB | P06746 | 3/20 | 0.50 |
| ▸ | PARP1 | P09874 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | KDM1A | O60341 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL3175221 | 0.92 | CYP2C19 (0.80) | CYP2C19CYP3A4CYP2D6MEN1KMT2A | |
| SCHEMBL6205018 | 0.91 | CYP2D6 (0.57) | CYP2C19CYP3A4CYP2D6MEN1KMT2A | |
| SCHEMBL3179723 | 0.89 | CYP2C19 (0.76) | CYP2C19CYP3A4CYP2D6MEN1KMT2A | |
| SCHEMBL3181015 | 0.88 | CYP2C19 (0.74) | CYP2C19CYP3A4CYP2D6MEN1KMT2A | |
| SCHEMBL3997594 | 0.85 | CYP2C19 (0.70) | CYP2C19CYP3A4CYP2D6MEN1KMT2A | |
| SCHEMBL3181193 | 0.85 | CYP2C19 (0.70) | CYP2C19CYP3A4CYP2D6MEN1KMT2A | |
| SCHEMBL14068495 | 0.85 | CYP2C19 (0.70) | CYP2C19CYP3A4CYP2D6MEN1KMT2A | |
| SCHEMBL3175514 | 0.85 | CYP2C19 (0.70) | CYP2C19CYP3A4CYP2D6MEN1KMT2A | |
| SCHEMBL3173535 | 0.85 | CYP2C19 (0.70) | CYP2C19CYP3A4CYP2D6MEN1KMT2A | |
| SCHEMBL9884549 | 0.85 | CYP2C19 (0.70) | CYP2C19CYP3A4CYP2D6MEN1KMT2A |
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-1177177-B1 | SUBSTITUTED 4-OXO-QUINOLINE-3-CARBOXAMIDES: GABA BRAIN RECEPTOR LIGANDS | NEUROGEN CORP (US) | 2005-02-23 | — | — | EP | disclosed |
| US-6413956-B1 | AGONISTS, ANTAGONISTS OR INVERSE AGONISTS AND LOCALIZATION PROBES FOR GAMMA AMINOBUTYRIC ACID BRAIN RECEPTORS; ANXIETY, DEPRESSION, DOWN SYNDROME, SLEEP AND SEIZURE DISORDERS, OVERDOSE WITH BENZODIAZEPINE DRUGS AND MEMORY ENHANCEMENT | NEUROGEN CORPORATION | 2002-07-02 | — | — | US | disclosed |