Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 2/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA4 | P22748 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | CTSK | P43235 | 1/20 | 0.31 |
| ▸ | MAOB | P27338 | 2/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6712899 | 0.72 | ALDH1A1 (0.62) | MAOAALDH1A1MAPTNPSR1MAOB | |
| SCHEMBL4849060 | 0.71 | MAOA (0.51) | MAOACA1CA2CA4CA7 | |
| SCHEMBL5485782 | 0.70 | KDM4E (0.43) | MAOAALDH1A1MAPTMAOBKDM4E | |
| SCHEMBL1868023 | 0.70 | MAOA (0.59) | MAOACA1CA2CA4CA7 | |
| SCHEMBL6591548 | 0.70 | LMNA (0.31) | — | |
| SCHEMBL11216090 | 0.70 | ALDH1A1 (0.37) | CA1CA2CA9ALDH1A1MAPT | |
| Ethylene SCHEMBL3645192 | 0.70 | ALDH1A1 (0.59) | MAOAALDH1A1MAPTNPSR1MAOB | |
| Ethylene Glycol SCHEMBL10990240 | 0.68 | TSHR (0.37) | ALDH1A1MAPTHPGDCYP1A2CYP3A4 | |
| SCHEMBL6597580 | 0.68 | LMNA (0.31) | — | |
| SCHEMBL6595280 | 0.68 | LMNA (0.31) | — |
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-1204660-B1 | SEROTONERGIC BENZOTHIOPHENES | LILLY CO ELI (US) | 2004-10-20 | — | — | EP | disclosed |