Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.41 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.41 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.41 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.41 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.41 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.37 |
| ▸ | BACE1 | P56817 | 1/20 | 0.37 |
| ▸ | CNR1 | P21554 | 2/20 | 0.37 |
| ▸ | CNR2 | P34972 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL15187938 | 0.72 | TSHR (0.55) | ALDH1A1TSHRCYP3A4HTTHSD17B10 | |
| SCHEMBL5566978 | 0.68 | ALDH1A1 (0.54) | ALDH1A1TSHRCYP3A4PSEN1PSEN2 | |
| SCHEMBL29165184 | 0.67 | CNR1 (0.48) | ALDH1A1TSHRCYP3A4POLBMEN1 | |
| SCHEMBL887315 | 0.66 | TSHR (0.38) | ALDH1A1TSHRCYP3A4PSEN1PSEN2 | |
| SCHEMBL6825856 | 0.66 | ALDH1A1 (0.51) | ALDH1A1TSHRCYP3A4PSEN1PSEN2 | |
| SCHEMBL19441740 | 0.66 | ALDH1A1 (0.51) | ALDH1A1TSHRCYP3A4PSEN1PSEN2 | |
| SCHEMBL3699604 | 0.66 | POLB (0.54) | ALDH1A1TSHRCYP3A4POLBMEN1 | |
| SCHEMBL4402780 | 0.66 | MAPT (0.57) | ALDH1A1CYP3A4MEN1KMT2AGAA | |
| SCHEMBL6586026 | 0.65 | ALDH1A1 (0.51) | ALDH1A1TSHRCYP3A4PSEN1PSEN2 | |
| SCHEMBL2754706 | 0.65 | ALDH1A1 (0.51) | ALDH1A1TSHRCYP3A4PSEN1PSEN2 |
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-2631228-A1 | PROCESS FOR PRODUCING OPTICALLY ACTIVE B-AMINO ALDEHYDE COMPOUND | Sumitomo Chemical Company, Limited (JP) | 2013-08-28 | — | — | EP | disclosed |