Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | BACE1 | P56817 | 2/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | CAMK2A | Q9UQM7 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL20152975 | 0.90 | NPSR1 (0.40) | HSD17B10BACE1 | |
| SCHEMBL3732327 | 0.87 | POLB (0.46) | HSD17B10CAMK2AMEN1CYP1A2CYP3A4 | |
| SCHEMBL20152905 | 0.86 | TTR (0.43) | BACE1MEN1KMT2A | |
| SCHEMBL27860622 | 0.82 | ALDH1A1 (0.44) | HSD17B10MEN1CYP3A4KMT2A | |
| SCHEMBL27565822 | 0.79 | F13A1 (0.51) | HSD17B10CAMK2A | |
| SCHEMBL3740782 | 0.79 | CYP4F2 (0.51) | HSD17B10CA12CA1CA2CA7 | |
| SCHEMBL3200694 | 0.78 | BACE1 (0.49) | HSD17B10BACE1CAMK2A | |
| SCHEMBL14770069 | 0.77 | CHRNA7 (0.38) | BACE1 | |
| SCHEMBL20152915 | 0.77 | NPSR1 (0.47) | CYP3A4 | |
| SCHEMBL20153030 | 0.77 | CHRNA7 (0.38) | — |
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-2018086197-A1 | CATALYTIC ASYMMETRIC SYNTHESIS METHOD FOR CHIRAL SPINOL DERIVATE | 南方科技大学 | 2018-05-17 | — | — | WO | disclosed |