Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE7A | Q13946 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | KDM1A | O60341 | 1/20 | 0.36 |
| ▸ | AR | P10275 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 3/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL20152929 | 0.85 | PDE7A (0.35) | PDE7ACYP3A4MAPK1HSD17B10ALDH1A1 | |
| SCHEMBL26890360 | 0.80 | PDE7A (0.34) | PDE7ACYP3A4MAPK1HSP90AA1KDM1A | |
| SCHEMBL26895373 | 0.77 | SLC6A4 (0.33) | PDE7ACYP3A4MAPK1HSP90AA1KDM1A | |
| SCHEMBL14770071 | 0.75 | ALOX15 (0.32) | — | |
| SCHEMBL13999136 | 0.75 | ESR1 (0.40) | TSHRALDH1A1TDP1 | |
| SCHEMBL16312967 | 0.75 | HDAC3 (0.34) | CYP3A4MAPK1TSHRHSD17B10ALDH1A1 | |
| SCHEMBL20152968 | 0.75 | CYP1A2 (0.33) | MAPK1TSHR | |
| SCHEMBL20152961 | 0.75 | — | — | |
| SCHEMBL29822725 | 0.75 | ALOX15 (0.32) | — | |
| SCHEMBL20152958 | 0.71 | HPGD (0.39) | CYP3A4MAPK1TSHRHSD17B10ALDH1A1 |
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 |