Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.52 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.52 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.52 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.52 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.52 |
| ▸ | DRD1 | P21728 | 1/20 | 0.52 |
| ▸ | HTR2B | P41595 | 1/20 | 0.52 |
| ▸ | CCR2 | P41597 | 1/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | FTO | Q9C0B1 | 1/20 | 0.37 |
| ▸ | APLNR | P35414 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1997655 | 0.75 | ALDH1A1 (0.75) | MAOAALDH1A1SLC6A4ABCB11NR3C1 | |
| SCHEMBL12803486 | 0.75 | MAOA (0.41) | MAOAALDH1A1SLC6A4CYP1A2CYP3A4 | |
| SCHEMBL11178299 | 0.70 | CYP1A2 (0.52) | MAOAALDH1A1SLC6A4ABCB11NR3C1 | |
| 1-Naphthylisothiocyanate SCHEMBL29354904 | 0.68 | ALDH1A1 (1.00) | MAOAALDH1A1SLC6A4ABCB11NR3C1 | |
| 1-Naphthylisothiocyanate SCHEMBL419795 | 0.68 | ALDH1A1 (1.00) | MAOAALDH1A1SLC6A4ABCB11NR3C1 | |
| SCHEMBL207554 | 0.67 | ALDH1A1 (0.62) | MAOAALDH1A1SLC6A4ABCB11NR3C1 | |
| SCHEMBL29374052 | 0.67 | ALDH1A1 (0.62) | MAOAALDH1A1SLC6A4ABCB11NR3C1 | |
| 1-Naphthylisothiocyanate SCHEMBL27570428 | 0.67 | ALDH1A1 (0.96) | MAOAALDH1A1SLC6A4ABCB11NR3C1 | |
| SCHEMBL97155 | 0.67 | MAOA (0.45) | MAOAALDH1A1SLC6A4CYP1A2CYP3A4 | |
| 1-Naphthylisothiocyanate SCHEMBL27487887 | 0.67 | ALDH1A1 (0.96) | MAOAALDH1A1SLC6A4ABCB11NR3C1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1069490-A | Urea derivatives | YAMANOUCHI PHARMA CO LTD (JP) | 1993-03-03 | — | — | CN | disclosed |