Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | MAOA | P21397 | 1/20 | 0.49 |
| ▸ | MAOB | P27338 | 1/20 | 0.49 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | CYP1A1 | P04798 | 8/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 8/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 8/20 | 0.45 |
| ▸ | CYP1B1 | Q16678 | 8/20 | 0.45 |
| ▸ | HPGD | P15428 | 3/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | PFKFB3 | Q16875 | 3/20 | 0.44 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.42 |
| ▸ | GPR52 | Q9Y2T5 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | NPY1R | P25929 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | NPY2R | P49146 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL14313473 | 0.84 | HTT (0.47) | HTTMAOAMAOBPTGS2ALDH1A1 | |
| SCHEMBL14305645 | 0.82 | NPC1 (0.58) | MAOBALDH1A1CYP1A2CYP1B1HPGD | |
| SCHEMBL14313389 | 0.81 | MAPT (0.57) | ALDH1A1CYP1A1CYP1A2CYP2D6CYP1B1 | |
| SCHEMBL14305656 | 0.80 | HTT (0.58) | HTTALDH1A1CYP1A1CYP1A2CYP2D6 | |
| SCHEMBL14313403 | 0.79 | HTT (0.53) | HTTMAOAMAOBPTGS2ALDH1A1 | |
| SCHEMBL6997670 | 0.77 | HTT (0.67) | HTTALDH1A1CYP1A1CYP1A2CYP2D6 | |
| SCHEMBL6997673 | 0.77 | HTT (0.67) | HTTALDH1A1CYP1A1CYP1A2CYP2D6 | |
| SCHEMBL2999911 | 0.77 | ALDH1A1 (0.55) | HTTALDH1A1CYP1A1CYP1A2CYP2D6 | |
| SCHEMBL2999914 | 0.77 | ALDH1A1 (0.55) | HTTALDH1A1CYP1A1CYP1A2CYP2D6 | |
| SCHEMBL14313397 | 0.76 | HTT (0.53) | HTTALDH1A1CYP1A1CYP1A2CYP2D6 |
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-1411045-B1 | Process for production of optically active amino alcohols | YOKOZAWA TOHRU (JP) | 2008-01-16 | — | — | EP | disclosed |