Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 10/20 | 0.41 |
| ▸ | HTR2A | P28223 | 9/20 | 0.41 |
| ▸ | HTR2B | P41595 | 9/20 | 0.41 |
| ▸ | PRCP | P42785 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 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 | |
|---|---|---|---|---|
| SCHEMBL11726212 | 1.00 | TAAR1 (0.41) | TAAR1HTR2CHTR2AHTR2BPRCP | |
| SCHEMBL30124965 | 0.78 | SRD5A1 (0.42) | PRCPOPRM1 | |
| SCHEMBL17776282 | 0.71 | TAAR1 (0.54) | TAAR1HTR2CHTR2AHTR2B | |
| SCHEMBL14656860 | 0.71 | TAAR1 (0.54) | TAAR1HTR2CHTR2AHTR2B | |
| SCHEMBL16019913 | 0.71 | TAAR1 (0.54) | TAAR1HTR2CHTR2AHTR2B | |
| SCHEMBL695919 | 0.71 | TAAR1 (0.54) | TAAR1HTR2CHTR2AHTR2B | |
| SCHEMBL10484131 | 0.69 | TAAR1 (0.48) | TAAR1HTR2CHTR2AHTR2BOPRM1 | |
| Phosphoric Acid SCHEMBL31735868 | 0.66 | TAAR1 (0.48) | TAAR1HTR2CHTR2AHTR2B | |
| SCHEMBL15468300 | 0.66 | OPRM1 (0.43) | OPRM1 | |
| SCHEMBL29981061 | 0.65 | HTR2C (0.43) | TAAR1HTR2CHTR2AHTR2B |
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-4049659-A | Process for the preparation of 4-oxo-hexahydro-pyrazinoisoquinoline derivatives | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) | 1977-09-20 | — | — | US | disclosed |