Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR6 | P50406 | 11/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.50 |
| ▸ | PNMT | P11086 | 6/20 | 0.48 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.48 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.48 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.48 |
| ▸ | HTR2C | P28335 | 3/20 | 0.45 |
| ▸ | HTR2B | P41595 | 2/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL6331245 | 0.87 | PNMT (0.51) | HTR6CYP3A4PNMTADRA2AADRA2B | |
| SCHEMBL6339862 | 0.84 | HTR6 (0.58) | HTR6CYP3A4PNMTADRA2AADRA2B | |
| SCHEMBL6328762 | 0.81 | HTR6 (0.62) | HTR6CYP3A4PNMTADRA2AADRA2B | |
| Hydrochloric Acid SCHEMBL6329781 | 0.81 | HTR6 (0.61) | HTR6CYP3A4PNMTADRA2AADRA2B | |
| SCHEMBL6336766 | 0.79 | HTR6 (0.63) | HTR6CYP3A4PNMTADRA2AADRA2B | |
| SCHEMBL6336148 | 0.79 | HTR6 (0.63) | HTR6CYP3A4PNMTADRA2AADRA2B | |
| SCHEMBL6330336 | 0.78 | PNMT (0.48) | HTR6CYP3A4PNMTADRA2AADRA2B | |
| SCHEMBL6330390 | 0.76 | HTR6 (0.65) | HTR6CYP3A4PNMTADRA2AADRA2B | |
| SCHEMBL6336119 | 0.76 | PNMT (0.60) | HTR6PNMTADRA2AADRA2BADRA2C | |
| SCHEMBL6332952 | 0.75 | HTR6 (0.55) | HTR6CYP3A4PNMTADRA2AADRA2B |
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-6849644-B2 | Isoquinoline derivatives useful in the treatment of CNS disorders | SMITHKLINE BEECHAM P.L.C. (GB) | 2005-02-01 | — | — | US | claimed |
| US-6849644-B2 | Isoquinoline derivatives useful in the treatment of CNS disorders | SMITHKLINE BEECHAM P.L.C. (GB) | 2005-02-01 | — | — | US | disclosed |