Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 2/20 | 0.54 |
| ▸ | HTR2C | P28335 | 2/20 | 0.54 |
| ▸ | HRH3 | Q9Y5N1 | 7/20 | 0.48 |
| ▸ | HTR2B | P41595 | 1/20 | 0.47 |
| ▸ | MAOB | P27338 | 4/20 | 0.45 |
| ▸ | MAOA | P21397 | 3/20 | 0.45 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.44 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.43 |
| ▸ | KDM1A | O60341 | 1/20 | 0.43 |
| ▸ | HRH1 | P35367 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL5442266 | 0.88 | HTR2C (0.65) | HTR2AHTR2CHRH3HTR2BMAOB | |
| SCHEMBL5442264 | 0.88 | HTR2C (0.65) | HTR2AHTR2CHRH3HTR2BMAOB | |
| SCHEMBL5442260 | 0.88 | HTR2C (0.65) | HTR2AHTR2CHRH3HTR2BMAOB | |
| SCHEMBL17583857 | 0.84 | CA2 (0.46) | HRH3MAOBMAOAALOX5CYP2D6 | |
| SCHEMBL4940018 | 0.82 | HTR2C (0.67) | HTR2AHTR2CHRH3HTR2BMAOB | |
| SCHEMBL4940545 | 0.82 | HTR2C (0.67) | HTR2AHTR2CHRH3HTR2BMAOB | |
| Hydrochloric Acid SCHEMBL4937772 | 0.81 | HTR2C (0.66) | HTR2AHTR2CHRH3HTR2BMAOB | |
| Hydrochloric Acid SCHEMBL4929497 | 0.81 | HTR2C (0.66) | HTR2AHTR2CHRH3HTR2BMAOB | |
| Hydrochloric Acid SCHEMBL4937777 | 0.81 | HTR2C (0.66) | HTR2AHTR2CHRH3HTR2BMAOB | |
| SCHEMBL13198517 | 0.77 | MAOA (0.53) | HRH3MAOBMAOAALOX5CYP2D6 |
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-3194367-B1 | TETRAHYDROISOQUINOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR THE TREATMENT OF OBESITY AND DIABETES | BOEHRINGER INGELHEIM INT (DE) | 2021-08-18 | — | — | EP | disclosed |