Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARG | P37231 | 3/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.51 |
| ▸ | MEN1 | O00255 | 3/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | HPGD | P15428 | 2/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.51 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.51 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.51 |
| ▸ | LCK | P06239 | 1/20 | 0.50 |
| ▸ | HTR2B | P41595 | 5/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL29128893 | 1.00 | PPARG (0.60) | PPARGCYP3A4MEN1KMT2AKDM4E | |
| SCHEMBL30739469 | 0.91 | CSNK2A2 (0.60) | PPARGCYP3A4MEN1KMT2AKDM4E | |
| SCHEMBL29129665 | 0.91 | CSNK2A2 (0.60) | PPARGCYP3A4MEN1KMT2AKDM4E | |
| SCHEMBL16983387 | 0.87 | PDE5A (0.49) | PPARGCYP3A4MEN1KMT2AKDM4E | |
| SCHEMBL9976008 | 0.81 | PPARG (0.64) | PPARGCYP3A4MEN1KMT2AKDM4E | |
| SCHEMBL8590733 | 0.81 | PPARG (0.74) | PPARGCYP3A4KDM4EMAPTHPGD | |
| SCHEMBL29128886 | 0.80 | CYP19A1 (0.50) | CYP3A4MEN1KMT2AKDM4EMAPT | |
| SCHEMBL28058580 | 0.80 | TERT (0.61) | CYP3A4MEN1KMT2AKDM4EMAPT | |
| SCHEMBL30800375 | 0.80 | CYP19A1 (0.50) | CYP3A4MEN1KMT2AKDM4EMAPT | |
| SCHEMBL29129660 | 0.80 | PPARG (0.65) | PPARGCYP3A4KDM4EHPGDCYP2D6 |
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-117269395-A | Construction method of qi fingerprint of agilawood and fingerprint thereof | 中国中医科学院中药研究所 | 2023-12-22 | — | — | CN | claimed |
| CN-117269395-A | Construction method of qi fingerprint of agilawood and fingerprint thereof | 中国中医科学院中药研究所 | 2023-12-22 | — | — | CN | disclosed |