Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.44 |
| ▸ | CES1 | P23141 | 1/20 | 0.44 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.43 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | MPI | P34949 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | NQO1 | P15559 | 1/20 | 0.39 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.39 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL30267509 | 1.00 | DHFR (0.44) | DHFRALDH1A1HPGDTSHRHSD17B10 | |
| SCHEMBL8141507 | 1.00 | DHFR (0.44) | DHFRALDH1A1HPGDTSHRHSD17B10 | |
| Phosphoric Acid SCHEMBL31173769 | 0.92 | GPR84 (0.45) | DHFRALDH1A1HPGDTSHRHSD17B10 | |
| SCHEMBL30267505 | 0.87 | DHFR (0.38) | DHFRALDH1A1HPGDTSHRHSD17B10 | |
| SCHEMBL30267489 | 0.87 | DHFR (0.43) | DHFRALDH1A1HPGDTSHRHSD17B10 | |
| SCHEMBL30267272 | 0.87 | DHFR (0.38) | DHFRALDH1A1HPGDTSHRHSD17B10 | |
| SCHEMBL30267636 | 0.83 | MEN1 (0.43) | CYP3A4MEN1KMT2ACYP1A2 | |
| SCHEMBL584973 | 0.82 | ALDH1A1 (0.47) | DHFRALDH1A1HPGDTSHRHSD17B10 | |
| SCHEMBL30599052 | 0.82 | ALDH1A1 (0.47) | DHFRALDH1A1HPGDTSHRHSD17B10 | |
| SCHEMBL29863315 | 0.82 | ALDH1A1 (0.47) | DHFRALDH1A1HPGDTSHRHSD17B10 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115124460-B | Binaphthyl axis chiral ligand containing coordination unit, preparation method and application thereof | 华东理工大学 | 2024-07-26 | — | — | CN | claimed |
| CN-115124460-A | Dinaphthalene axis chiral ligand containing coordination unit and preparation method and application thereof | 华东理工大学 | 2022-09-30 | — | — | CN | claimed |
| CN-115124460-B | Binaphthyl axis chiral ligand containing coordination unit, preparation method and application thereof | 华东理工大学 | 2024-07-26 | — | — | CN | disclosed |
| CN-115124460-B | Binaphthyl axis chiral ligand containing coordination unit, preparation method and application thereof | 华东理工大学 | 2024-07-26 | — | — | CN | disclosed |
| CN-116874738-A | Polyisocyanate, preparation method thereof and application of polyisocyanate in preparation of polyurethane hard foam | 万华化学（宁波）有限公司 | 2023-10-13 | — | — | CN | disclosed |
| CN-111423332-B | Method for splitting chiral compound | 上海科技大学 | 2023-02-10 | — | — | CN | disclosed |
| CN-115124460-A | Dinaphthalene axis chiral ligand containing coordination unit and preparation method and application thereof | 华东理工大学 | 2022-09-30 | — | — | CN | disclosed |
| CN-115124460-A | Dinaphthalene axis chiral ligand containing coordination unit and preparation method and application thereof | 华东理工大学 | 2022-09-30 | — | — | CN | disclosed |
| CN-112961037-B | Method for resolving racemic chiral compound by molecular distillation method | 浙江工业大学 | 2022-05-17 | — | — | CN | disclosed |