Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN5 | P54829 | 3/20 | 0.44 |
| ▸ | PDE2A | O00408 | 2/20 | 0.44 |
| ▸ | NOS3 | P29474 | 1/20 | 0.39 |
| ▸ | NOS1 | P29475 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | UGT2B7 | P16662 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | PGR | P06401 | 1/20 | 0.33 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 2/20 | 0.31 |
| ▸ | TSHR | P16473 | 2/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.31 |
| ▸ | TYR | P14679 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | AR | P10275 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL11420139 | 0.81 | CYP2C9 (0.47) | PTPN5PDE2ALMNACYP2D6CYP2C9 | |
| SCHEMBL2644008 | 0.81 | LMNA (0.50) | PTPN5NOS3NOS1LMNAUGT2B7 | |
| SCHEMBL7948388 | 0.81 | ESR1 (0.50) | PTPN5PDE2ANOS3NOS1LMNA | |
| SCHEMBL30010731 | 0.81 | LMNA (0.50) | PTPN5NOS3NOS1LMNAUGT2B7 | |
| SCHEMBL18282984 | 0.81 | LMNA (0.50) | PTPN5NOS3NOS1LMNAUGT2B7 | |
| SCHEMBL31201776 | 0.79 | PTPN5 (0.46) | PTPN5PDE2ANOS3NOS1LMNA | |
| Water SCHEMBL9544852 | 0.79 | CYP2C9 (0.45) | PTPN5PDE2ALMNACYP2D6CYP2C9 | |
| SCHEMBL1332759 | 0.77 | PTPN5 (0.44) | PTPN5PDE2ANOS3NOS1LMNA | |
| SCHEMBL18290606 | 0.77 | PTPN5 (0.53) | PTPN5PDE2ANOS3NOS1LMNA | |
| SCHEMBL30521586 | 0.77 | PTPN5 (0.53) | PTPN5PDE2ANOS3NOS1LMNA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115108874-A | Amine azide chiral compound, bis-azide chiral compound and related preparation methods | 中国科学院福建物质结构研究所 | 2022-09-27 | — | — | CN | disclosed |
| CN-113493450-A | Ligand compound, preparation method thereof and application thereof in asymmetric reaction | 中国科学院福建物质结构研究所 | 2021-10-12 | — | — | CN | disclosed |