Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR6 | P50406 | 17/20 | 0.58 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.56 |
| ▸ | PNMT | P11086 | 1/20 | 0.53 |
| ▸ | CA12 | O43570 | 1/20 | 0.52 |
| ▸ | CA1 | P00915 | 1/20 | 0.52 |
| ▸ | CA2 | P00918 | 1/20 | 0.52 |
| ▸ | CA9 | Q16790 | 1/20 | 0.52 |
| ▸ | HTR1A | P08908 | 2/20 | 0.49 |
| ▸ | HTR7 | P34969 | 2/20 | 0.49 |
| ▸ | DRD2 | P14416 | 1/20 | 0.47 |
| ▸ | HTR2A | P28223 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6330997 | 0.99 | HTR6 (0.57) | HTR6L3MBTL1PNMTCA12CA1 | |
| SCHEMBL6330390 | 0.84 | HTR6 (0.65) | HTR6PNMTHTR2A | |
| SCHEMBL6336170 | 0.82 | PNMT (0.50) | HTR6PNMTHTR2A | |
| SCHEMBL6336119 | 0.80 | PNMT (0.60) | HTR6PNMT | |
| SCHEMBL6335588 | 0.79 | HTR6 (0.60) | HTR6PNMTHTR1AHTR7DRD2 | |
| SCHEMBL6328762 | 0.76 | HTR6 (0.62) | HTR6L3MBTL1PNMT | |
| SCHEMBL3644542 | 0.75 | HTR6 (1.00) | HTR6L3MBTL1CA12CA1CA2 | |
| Hydrochloric Acid SCHEMBL6329781 | 0.75 | HTR6 (0.61) | HTR6L3MBTL1PNMT | |
| SCHEMBL6331245 | 0.75 | PNMT (0.51) | HTR6PNMT | |
| SCHEMBL6330624 | 0.75 | HTR6 (0.50) | HTR6PNMT |
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 |