Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 2/20 | 0.47 |
| ▸ | MAOB | P27338 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.41 |
| ▸ | ADRA2B | P18089 | 3/20 | 0.41 |
| ▸ | ADRA2C | P18825 | 3/20 | 0.41 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.41 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | BRD9 | Q9H8M2 | 3/20 | 0.41 |
| ▸ | BRD4 | O60885 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 4/20 | 0.40 |
| ▸ | DRD5 | P21918 | 4/20 | 0.40 |
| ▸ | DRD3 | P35462 | 4/20 | 0.40 |
| ▸ | DRD1 | P21728 | 3/20 | 0.40 |
| ▸ | DRD4 | P21917 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL14257851 | 0.85 | MAOA (0.47) | MAOAMAOBCYP3A4ADRA2AADRA2B | |
| SCHEMBL9710104 | 0.77 | CYP3A4 (0.50) | CYP3A4SIGMAR1 | |
| SCHEMBL1074719 | 0.74 | CYP3A4 (0.47) | CYP3A4SIGMAR1 | |
| SCHEMBL8012752 | 0.72 | MAOA (0.55) | MAOAMAOBADRA2AADRA2BADRA2C | |
| SCHEMBL12363802 | 0.72 | MAOA (0.59) | MAOAMAOBADRA2AADRA2BADRA2C | |
| SCHEMBL17721296 | 0.72 | MAOA (0.59) | MAOAMAOBADRA2AADRA2BADRA2C | |
| SCHEMBL29507212 | 0.72 | MAOA (0.59) | MAOAMAOBADRA2AADRA2BADRA2C | |
| SCHEMBL13171752 | 0.71 | MAOA (0.53) | MAOAMAOBADRA2AADRA2BADRA2C | |
| SCHEMBL24265736 | 0.70 | MAOA (0.57) | MAOAMAOBADRA2AADRA2BADRA2C | |
| SCHEMBL16076617 | 0.70 | MAOA (0.57) | MAOAMAOBADRA2AADRA2BADRA2C |
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 |
|---|---|---|---|---|---|---|---|
| US-6274594-B1 | ANTICONVULSANTS, ANALGESICS; NERUOPATHIC, CANCER AND DENTAL PAIN; | SMITHKLINE BEECHAM P.L.C. (GB) | 2001-08-14 | — | — | US | disclosed |
| EP-1032570-A1 | ISOQUINOLINE DERIVATIVES AND THEIR THERAPEUTICAL USE | SMITHKLINE BEECHAM PLC (GB) | 2000-09-06 | — | — | EP | disclosed |
| WO-1999025709-A1 | ISOQUINOLINE DERIVATIVES AND THEIR THERAPEUTICAL USE | SMITHKLINE BEECHAM P.L.C. (GB) | 1999-05-27 | — | — | WO | disclosed |