Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.36 |
| ▸ | NOS3 | P29474 | 1/20 | 0.36 |
| ▸ | NOS2 | P35228 | 1/20 | 0.36 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | PTPRC | P08575 | 1/20 | 0.35 |
| ▸ | PTPRF | P10586 | 1/20 | 0.35 |
| ▸ | CDC25B | P30305 | 1/20 | 0.35 |
| ▸ | PLAU | P00749 | 1/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | HTR7 | P34969 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL11297697 | 0.78 | CYP2A6 (0.44) | PTPN1NOS3NOS2HPGDL3MBTL1 | |
| SCHEMBL8809851 | 0.76 | PLAU (0.46) | L3MBTL1PLAUHTR1A | |
| SCHEMBL8555399 | 0.74 | CES1 (0.46) | CYP19A1ACHENOS3NOS2L3MBTL1 | |
| SCHEMBL16602939 | 0.69 | PDK2 (0.33) | PTPN1HPGDL3MBTL1PTPRCPTPRF | |
| SCHEMBL4055026 | 0.68 | MAPT (0.38) | TSHRCYP19A1ACHEPTPN1NOS3 | |
| SCHEMBL5254581 | 0.67 | ADRA2A (0.49) | TSHRHPGDL3MBTL1CYP2A6MAOA | |
| SCHEMBL1022714 | 0.67 | KDM4E (0.45) | TSHRCYP19A1PTPN1CHRNA7L3MBTL1 | |
| SCHEMBL30436120 | 0.67 | TSHR (0.67) | TSHRCYP19A1NOS3NOS2HPGD | |
| SCHEMBL829845 | 0.64 | TSHR (0.48) | TSHR | |
| SCHEMBL568779 | 0.64 | TSHR (0.71) | TSHRCYP19A1NOS3NOS2HPGD |
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-2081600-A1 | COMBINATION OF NMDA- RECEPTOR LIGAND AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY | Laboratorios Del. Dr. Esteve, S.A. (ES) | 2009-07-29 | — | — | EP | claimed |
| WO-2008034815-A1 | COMBINATION OF NMDA- RECEPTOR LIGAND AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2008-03-27 | — | — | WO | claimed |