Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | MTNR1A | P48039 | 3/20 | 0.46 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 5/20 | 0.44 |
| ▸ | CA1 | P00915 | 5/20 | 0.44 |
| ▸ | CA9 | Q16790 | 5/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.39 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.39 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.39 |
| ▸ | TUBB1 | Q9H4B7 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5227187 | 0.82 | MTNR1A (0.59) | ALDH1A1GAAMTNR1AMTNR1BCA12 | |
| SCHEMBL24436737 | 0.76 | ALDH1A1 (0.58) | ALDH1A1GAACA12CA1CA9 | |
| SCHEMBL22215820 | 0.75 | KDM4E (0.57) | ALDH1A1GAAHPGDCA12CA1 | |
| SCHEMBL5355917 | 0.74 | CA12 (0.55) | ALDH1A1GAAHPGDCA12CA1 | |
| SCHEMBL28036370 | 0.73 | ALDH1A1 (0.52) | ALDH1A1GAAHPGDCA12CA1 | |
| SCHEMBL19530936 | 0.73 | ACHE (0.47) | ALDH1A1GAAHPGDMTNR1AMTNR1B | |
| SCHEMBL30343666 | 0.73 | HPGD (0.68) | ALDH1A1GAAHPGDCA12CA1 | |
| SCHEMBL15869201 | 0.73 | CA12 (0.46) | ALDH1A1GAAHPGDMTNR1ACA12 | |
| SCHEMBL4266742 | 0.73 | HPGD (0.68) | ALDH1A1GAAHPGDCA12CA1 | |
| SCHEMBL30066982 | 0.72 | MTNR1A (0.51) | ALDH1A1MTNR1AMTNR1BCA12CA1 |
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-3077354-B1 | NOVEL METHOD FOR THE SYNTHESIS OF AGOMELATINE | SERVIER LAB (FR) | 2017-11-29 | — | — | EP | disclosed |