Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2B | P41595 | 3/20 | 0.54 |
| ▸ | ESR1 | P03372 | 1/20 | 0.50 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.50 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.42 |
| ▸ | LTA4H | P09960 | 1/20 | 0.42 |
| ▸ | HTR3A | P46098 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | BACE1 | P56817 | 1/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA3 | P07451 | 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 | |
|---|---|---|---|---|
| SCHEMBL21317639 | 0.79 | HTR2B (0.54) | HTR2BESR1ESR2LTA4HHTR3A | |
| SCHEMBL8807402 | 0.73 | HTR2B (0.47) | HTR2BCA2KDM4EALDH1A1CYP2C19 | |
| SCHEMBL981554 | 0.71 | CYP2A6 (0.41) | HSD17B3KDM4EALDH1A1CA12KMT2A | |
| SCHEMBL69344 | 0.71 | ESR1 (1.00) | ESR1ESR2LTA4HHTR3ACA2 | |
| SCHEMBL3873458 | 0.71 | ESR1 (1.00) | ESR1ESR2LTA4HHTR3ACA2 | |
| SCHEMBL16972852 | 0.70 | HTR2B (1.00) | HTR2BHTR3AKMT2A | |
| SCHEMBL6174381 | 0.70 | HTR2B (0.54) | HTR2BHTR3ACA2HSD17B3CA12 | |
| SCHEMBL24046838 | 0.68 | PPARG (0.78) | HTR2BHTR3AKDM4ECYP2C19KMT2A | |
| SCHEMBL11322723 | 0.68 | CTRC (0.49) | CA2ALDH1A1CA12CA1CA3 | |
| Viridepyronone SCHEMBL18270619 | 0.68 | ALDH1A1 (0.40) | KDM4EALDH1A1CA12CA9KMT2A |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115011576-B | Aquilaria sinensis-derived III-type polyketide synthase AsPKS, and encoding gene and application thereof | 中国医学科学院药用植物研究所 | 2024-10-25 | — | — | CN | claimed |
| CN-114990084-B | Aquilaria sinensis-derived III-type polyketide synthase AsPKS4, and encoding gene and application thereof | 中国医学科学院药用植物研究所 | 2024-08-23 | — | — | CN | claimed |
| CN-115011576-B | Aquilaria sinensis-derived III-type polyketide synthase AsPKS, and encoding gene and application thereof | 中国医学科学院药用植物研究所 | 2024-10-25 | — | — | CN | disclosed |
| CN-114990084-B | Aquilaria sinensis-derived III-type polyketide synthase AsPKS4, and encoding gene and application thereof | 中国医学科学院药用植物研究所 | 2024-08-23 | — | — | CN | disclosed |
| CN-114990084-A | Aquilaria sinensis-derived III-type polyketide synthase AsPKS4, and coding gene and application thereof | 中国医学科学院药用植物研究所 | 2022-09-02 | — | — | CN | disclosed |