Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.35 |
| ▸ | SLC13A5 | Q86YT5 | 1/20 | 0.35 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.34 |
| ▸ | AMY1A | P0DUB6 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | PDE4A | P27815 | 1/20 | 0.32 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.32 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9071417 | 0.82 | GRM2 (0.39) | ALDH1A1MAPTLMNAACHESLC13A5 | |
| SCHEMBL697285 | 0.77 | ACHE (0.56) | ALDH1A1CYP3A4MAPTLMNAACHE | |
| SCHEMBL13717048 | 0.76 | TRPA1 (0.46) | ALDH1A1CYP3A4MAPTLMNAACHE | |
| SCHEMBL11718647 | 0.76 | MAPT (0.44) | ALDH1A1MAPTLMNAACHEAMY1A | |
| SCHEMBL13463122 | 0.75 | ALDH1A1 (0.42) | ALDH1A1CYP3A4MAPTACHECA1 | |
| SCHEMBL12527285 | 0.74 | MAPT (0.57) | ALDH1A1MAPTLMNAPOLBPTGDR2 | |
| SCHEMBL14254191 | 0.73 | ALDH1A1 (0.45) | ALDH1A1MAPTLMNAPOLBPTGDR2 | |
| SCHEMBL12180330 | 0.73 | FFAR4 (0.48) | ALDH1A1MAPTLMNAACHEPOLB | |
| SCHEMBL11576590 | 0.73 | SLC6A4 (0.53) | ALDH1A1MAPTLMNAPOLBHTR2A | |
| SCHEMBL7473992 | 0.71 | ALDH1A1 (0.48) | ALDH1A1MAPTLMNAPOLB |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012036253-A1 | HETEROCYCLIC COMPOUNDS FOR TREATING OR PREVENTING DISORDERS CAUSED BY REDUCED NEUROTRANSMISSION OF SEROTONIN, NOREPHNEPHRINE OR DOPAMINE. | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2012-03-22 | — | — | WO | disclosed |