Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.50 |
| ▸ | KEAP1 | Q14145 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | DHFR | P00374 | 1/20 | 0.49 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.44 |
| ▸ | CRHBP | P24387 | 1/20 | 0.44 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.44 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.44 |
| ▸ | HPRT1 | P00492 | 2/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.42 |
| ▸ | FGR | P09769 | 1/20 | 0.42 |
| ▸ | PIM1 | P11309 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.42 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL4915508 | 0.98 | ALDH1A1 (0.52) | ALDH1A1HSD17B10KEAP1TSHRHPGD | |
| SCHEMBL29418125 | 0.98 | ALDH1A1 (0.52) | ALDH1A1HSD17B10KEAP1TSHRHPGD | |
| SCHEMBL29192702 | 0.92 | ALDH1A1 (0.47) | ALDH1A1HSD17B10KEAP1TSHRHPGD | |
| SCHEMBL788001 | 0.90 | ALDH1A1 (0.56) | ALDH1A1HSD17B10KEAP1TSHRHPGD | |
| Styrene SCHEMBL28393525 | 0.85 | DHFR (0.44) | ALDH1A1HSD17B10KEAP1TSHRHPGD | |
| SCHEMBL5187265 | 0.84 | ALDH1A1 (0.50) | ALDH1A1HSD17B10KEAP1TSHRHPGD | |
| SCHEMBL29961656 | 0.83 | DHFR (0.42) | ALDH1A1HSD17B10KEAP1TSHRHPGD | |
| SCHEMBL29418178 | 0.83 | ALDH1A1 (0.56) | ALDH1A1HSD17B10KEAP1TSHRHPGD | |
| SCHEMBL455943 | 0.83 | ALDH1A1 (0.56) | ALDH1A1HSD17B10KEAP1TSHRHPGD | |
| SCHEMBL30302654 | 0.82 | KEAP1 (0.48) | ALDH1A1HSD17B10KEAP1TSHRHPGD |
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-117586310-A | Binaphthyl amine derived chiral phosphine oxide ligand promoted nickel catalysis C (sp 3 ) Asymmetric cyclization of the-H bond | 南开大学 | 2024-02-23 | — | — | CN | claimed |