Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MLNR | O43193 | 10/20 | 0.63 |
| ▸ | PNMT | P11086 | 5/20 | 0.62 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.60 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.51 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.51 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.51 |
| ▸ | HTR2C | P28335 | 1/20 | 0.50 |
| ▸ | HTR2B | P41595 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL1789401 | 0.92 | MLNR (0.74) | MLNRPNMTCYP2D6HTR2CHTR2B | |
| SCHEMBL7852459 | 0.80 | PNMT (0.60) | MLNRPNMTADRA2AADRA2BADRA2C | |
| SCHEMBL16112673 | 0.80 | PNMT (0.60) | MLNRPNMTCYP2D6ADRA2AADRA2B | |
| SCHEMBL19990835 | 0.79 | MLNR (0.51) | MLNRPNMTCYP2D6HTR2CHTR2B | |
| SCHEMBL5944522 | 0.77 | PNMT (1.00) | PNMTADRA2AADRA2BADRA2CHTR2C | |
| SCHEMBL19377321 | 0.76 | NAMPT (0.58) | MLNRCYP2D6 | |
| SCHEMBL29097885 | 0.76 | PNMT (0.53) | PNMTADRA2AADRA2BADRA2CHTR2C | |
| SCHEMBL30199216 | 0.76 | PNMT (0.53) | PNMTADRA2AADRA2BADRA2CHTR2C | |
| SCHEMBL3252513 | 0.76 | PARP11 (0.54) | PNMTADRA2AADRA2BADRA2CHTR2C | |
| SCHEMBL12608373 | 0.76 | HRH3 (0.51) | MLNRCYP2D6HTR2C |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0922035-B1 | TETRAHYDROISOQUINOLINE DERIVATIVES AND THEIR PHARMACEUTICAL USE | SMITHKLINE BEECHAM PLC (GB) | 2001-02-07 | — | — | EP | disclosed |
| US-6143762-A | DRUGS AS DOPAMINE ANTAGONIST PSYCHOLOGICAL DISORDERS | SMITHKLINE BEECHAM, PLC (GB) | 2000-11-07 | — | — | US | disclosed |
| EP-0922035-A1 | TETRAHYDROISOQUINOLINE DERIVATIVES AND THEIR PHARMACEUTICAL USE | SMITHKLINE BEECHAM PLC (GB) | 1999-06-16 | — | — | EP | disclosed |
| WO-1998006699-A1 | TETRAHYDROISOQUINOLINE DERIVATIVES AND THEIR PHARMACEUTICAL USE | SMITHKLINE BEECHAM PLC (GB) | 1998-02-19 | — | — | WO | disclosed |