Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.96 |
| ▸ | LMNA | P02545 | 3/20 | 0.63 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.63 |
| ▸ | MEN1 | O00255 | 1/20 | 0.63 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.54 |
| ▸ | PDE3B | Q13370 | 3/20 | 0.53 |
| ▸ | PDE3A | Q14432 | 3/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | PDE4A | P27815 | 1/20 | 0.49 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.49 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.49 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.47 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | BTK | Q06187 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL482059 | 0.98 | CYP1A2 (1.00) | CYP1A2LMNAKMT2AMEN1GPR119 | |
| SCHEMBL3452908 | 0.87 | LMNA (0.80) | CYP1A2LMNAKMT2AMEN1GPR119 | |
| SCHEMBL8898883 | 0.83 | CYP1A2 (0.73) | CYP1A2LMNAKMT2AMEN1GPR119 | |
| SCHEMBL10353459 | 0.83 | CYP1A2 (0.74) | CYP1A2LMNAKMT2AMEN1GPR119 | |
| SCHEMBL11146636 | 0.82 | CYP1A2 (0.71) | CYP1A2LMNAKMT2AMEN1GPR119 | |
| SCHEMBL1456606 | 0.79 | CYP1A2 (0.67) | CYP1A2LMNAKMT2AMEN1GPR119 | |
| SCHEMBL9687063 | 0.79 | LMNA (0.69) | CYP1A2LMNAKMT2AMEN1GPR119 | |
| SCHEMBL1751891 | 0.79 | CYP1A2 (0.68) | CYP1A2LMNAKMT2AMEN1PDE3B | |
| SCHEMBL11156334 | 0.79 | CYP1A2 (0.67) | CYP1A2LMNAKMT2AMEN1PDE3B | |
| SCHEMBL10354174 | 0.78 | CYP1A2 (0.67) | CYP1A2LMNAKMT2AMEN1GPR119 |
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 |
|---|---|---|---|---|---|---|---|
| US-6413966-B1 | SEROTONERGIC AND CENTRAL DOPAMINERGIC ACTIVITY; AFFINITY FOR 5HT1A AND 5HT2 SEROTONIN AND D2 DOPAMINE RECEPTORS; ATYPICAL ANTIPSYCHOTICS; SCHIZOPHRENIA | FAES, FABRICA ESPANOLA DE PRODUCTOS QUIMICOS Y FARMACEUTICOS, S.A. | 2002-07-02 | — | — | US | disclosed |
| EP-1057820-A1 | Arylpiperazinylalkyl-3(2H)-pyridazinones as serotonin 5HT and dopamine D2 receptor agonists | FAES, Fabrica Espanola de Productos Quimicos y Farmaceuticos, S.A. (ES) | 2000-12-06 | — | — | EP | disclosed |