Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PNMT | P11086 | 9/20 | 0.53 |
| ▸ | DRD2 | P14416 | 2/20 | 0.53 |
| ▸ | DRD3 | P35462 | 2/20 | 0.53 |
| ▸ | HTR2C | P28335 | 2/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | HTR2B | P41595 | 1/20 | 0.36 |
| ▸ | CD44 | P16070 | 2/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.33 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL19684587 | 0.86 | PNMT (0.53) | PNMTDRD2DRD3HTR2CHTR2A | |
| SCHEMBL20439975 | 0.78 | HTR2C (0.44) | PNMTHTR2CHTR2ACD44MAOB | |
| SCHEMBL20425892 | 0.75 | PNMT (0.50) | PNMTHTR2CCD44MAOBADRA2A | |
| SCHEMBL29507236 | 0.75 | PNMT (0.50) | PNMTHTR2CCD44MAOBADRA2A | |
| SCHEMBL31020006 | 0.75 | PNMT (0.41) | PNMTHTR2CCD44MAOBADRA2A | |
| SCHEMBL25244698 | 0.75 | PNMT (0.41) | PNMTHTR2CCD44MAOBADRA2A | |
| SCHEMBL19018209 | 0.72 | PNMT (0.39) | PNMTHTR2CHTR2AHTR2BCD44 | |
| SCHEMBL20884698 | 0.72 | PNMT (0.39) | PNMTHTR2CCD44MAOBADRA2A | |
| SCHEMBL12968862 | 0.72 | ASIC3 (0.43) | PNMTHTR2CHTR2AHTR2BCD44 | |
| SCHEMBL21903872 | 0.71 | KDM1A (0.33) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6465485-B1 | SUCH AS 7-CYANO-2-(2-(1-(4-(2-INDOLYL)CARBOXAMIDO)CYCLO-HEXYL)ETHYL)-1,2,3,4 -TETRAHYDROISOQUINOLINE; ANTIPSYCHOTIC AGENTS | SMITHKLINE BEECHAM P.L.C. (GB) | 2002-10-15 | — | — | US | disclosed |