Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.57 |
| ▸ | HTR2C | P28335 | 3/20 | 0.52 |
| ▸ | HTR2B | P41595 | 3/20 | 0.52 |
| ▸ | 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 | |
|---|---|---|---|---|
| SCHEMBL17552308 | 0.90 | TAAR1 (0.59) | TAAR1 | |
| SCHEMBL20053856 | 0.90 | TAAR1 (0.59) | TAAR1 | |
| Hydrochloric Acid SCHEMBL18863250 | 0.88 | TAAR1 (0.58) | TAAR1 | |
| SCHEMBL20053841 | 0.80 | TAAR1 (0.64) | TAAR1 | |
| SCHEMBL17552295 | 0.80 | TAAR1 (0.64) | TAAR1 | |
| SCHEMBL20053847 | 0.79 | TAAR1 (0.49) | TAAR1 | |
| SCHEMBL20053865 | 0.77 | TAAR1 (0.46) | TAAR1 | |
| SCHEMBL17552310 | 0.77 | TAAR1 (0.64) | TAAR1 | |
| SCHEMBL20053843 | 0.77 | TAAR1 (0.64) | TAAR1 | |
| SCHEMBL17552264 | 0.77 | TAAR1 (0.64) | TAAR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3186250-B1 | SUBSTITUTED PYRAZINO[2,1-A]ISOQUINOLINE DERIVATIVES FOR THE TREATMENT OF CNS DISORDERS | HOFFMANN LA ROCHE (CH) | 2018-04-18 | — | — | EP | disclosed |