Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 3/20 | 0.39 |
| ▸ | HTR2B | P41595 | 3/20 | 0.39 |
| ▸ | ANO1 | Q5XXA6 | 2/20 | 0.37 |
| ▸ | HTR2A | P28223 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | HPGD | P15428 | 3/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | MAP3K14 | Q99558 | 1/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL20153014 | 0.85 | MEN1 (0.38) | HSD17B10ALDH1A1TSHRHTR2CHTR2B | |
| SCHEMBL20152922 | 0.82 | PDE1B (0.44) | ALDH1A1TSHRHTR2BKMT2AMAPT | |
| SCHEMBL20152971 | 0.73 | CA3 (0.39) | TSHRHTR2CHTR2BHTR2AKMT2A | |
| SCHEMBL19418730 | 0.70 | ANO1 (0.36) | CYP3A4ANO1MEN1KMT2AMAPK1 | |
| SCHEMBL20152960 | 0.70 | ALOX15 (0.39) | ALDH1A1TSHRHTR2CHTR2BHTR2A | |
| SCHEMBL20152962 | 0.70 | TP53 (0.39) | HSD17B10ALDH1A1TDP1HTR2CHTR2B | |
| SCHEMBL27691672 | 0.69 | ANO1 (0.36) | CYP3A4ANO1MAPK1 | |
| SCHEMBL12611071 | 0.69 | HSD17B10 (0.48) | HSD17B10ALDH1A1CYP3A4TSHRTDP1 | |
| SCHEMBL20153038 | 0.68 | HTR2A (0.36) | HTR2CHTR2BHTR2ALMNA | |
| SCHEMBL29729512 | 0.66 | HSP90AA1 (0.51) | HSD17B10ALDH1A1CYP3A4TSHRTDP1 |
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 |