Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTNR1A | P48039 | 15/20 | 0.65 |
| ▸ | MTNR1B | P49286 | 5/20 | 0.62 |
| ▸ | HTR2C | P28335 | 1/20 | 0.62 |
| ▸ | HTR2B | P41595 | 1/20 | 0.62 |
| ▸ | HTR2A | P28223 | 2/20 | 0.62 |
| ▸ | NQO2 | P16083 | 1/20 | 0.60 |
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 | |
|---|---|---|---|---|
| SCHEMBL27865215 | 0.92 | MTNR1A (0.68) | MTNR1AMTNR1BHTR2CHTR2BHTR2A | |
| SCHEMBL8689882 | 0.82 | MTNR1A (0.67) | MTNR1AMTNR1BHTR2CHTR2BHTR2A | |
| SCHEMBL1882845 | 0.82 | HTR2A (0.68) | MTNR1AMTNR1BHTR2CHTR2BHTR2A | |
| SCHEMBL827963 | 0.80 | HTR2A (0.70) | MTNR1AMTNR1BHTR2CHTR2BHTR2A | |
| SCHEMBL8020435 | 0.80 | MTNR1A (0.78) | MTNR1AMTNR1BHTR2CHTR2BHTR2A | |
| SCHEMBL29593962 | 0.80 | MTNR1A (0.78) | MTNR1AMTNR1BHTR2CHTR2BHTR2A | |
| SCHEMBL12013659 | 0.80 | HTR2A (0.65) | MTNR1AMTNR1BHTR2CHTR2BHTR2A | |
| SCHEMBL8012835 | 0.79 | MTNR1A (0.71) | MTNR1AMTNR1BHTR2CHTR2BHTR2A | |
| Agomelatine SCHEMBL16581356 | 0.79 | MTNR1A (0.93) | MTNR1AMTNR1BHTR2CHTR2BNQO2 | |
| Agomelatine SCHEMBL15821818 | 0.79 | MTNR1A (0.93) | MTNR1AMTNR1BHTR2CHTR2BNQO2 |
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-2151428-B1 | Process for the preparation of agomelatin | SERVIER LAB (FR) | 2012-03-07 | — | — | EP | disclosed |