Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.52 |
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.52 |
| ▸ | THRB | P10828 | 1/20 | 0.52 |
| ▸ | CASP1 | P29466 | 1/20 | 0.52 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | MMP8 | P22894 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2722703 | 0.92 | ALDH1A1 (0.60) | ALDH1A1CYP3A4ALOX15TSHRHIF1A | |
| SCHEMBL11442419 | 0.86 | ALDH1A1 (0.58) | ALDH1A1CYP3A4ALOX15TSHRHIF1A | |
| SCHEMBL11473790 | 0.84 | ALDH1A1 (0.56) | ALDH1A1CYP3A4ALOX15TSHRHIF1A | |
| SCHEMBL39138 | 0.84 | ALDH1A1 (0.56) | ALDH1A1CYP3A4ALOX15TSHRHIF1A | |
| SCHEMBL11520102 | 0.84 | ALDH1A1 (0.56) | ALDH1A1CYP3A4ALOX15TSHRHIF1A | |
| SCHEMBL1417508 | 0.84 | ALDH1A1 (0.56) | ALDH1A1CYP3A4ALOX15TSHRHIF1A | |
| SCHEMBL11513573 | 0.84 | ALDH1A1 (0.56) | ALDH1A1CYP3A4ALOX15TSHRHIF1A | |
| SCHEMBL24293959 | 0.83 | ALDH1A1 (0.45) | ALDH1A1CYP3A4ALOX15TSHRHIF1A | |
| SCHEMBL3955297 | 0.83 | CYP3A4 (0.50) | ALDH1A1CYP3A4ALOX15TSHRHIF1A | |
| SCHEMBL1453959 | 0.82 | ALDH1A1 (0.50) | ALDH1A1CYP3A4ALOX15TSHRHIF1A |
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-109735582-A | A kind of method of lipase-catalyzed online synthesizing cyclohexane 1 alcohols beta-alkamine derivative | 浙江工业大学 | 2019-05-10 | — | — | CN | disclosed |