Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 7/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | MMP1 | P03956 | 1/20 | 0.38 |
| ▸ | MMP2 | P08253 | 1/20 | 0.38 |
| ▸ | MMP3 | P08254 | 1/20 | 0.38 |
| ▸ | MMP9 | P14780 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28644799 | 0.88 | GAA (0.53) | GAAALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL21558604 | 0.78 | GAA (0.46) | GAAALDH1A1CYP1A2CYP2C19KMT2A | |
| SCHEMBL8650482 | 0.78 | ALDH1A1 (0.51) | GAAALDH1A1KMT2AKDM4ENPSR1 | |
| SCHEMBL287439 | 0.74 | — | — | |
| SCHEMBL1276262 | 0.74 | ALDH1A1 (0.56) | GAAALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL9597959 | 0.70 | ALDH1A1 (0.46) | GAAALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL5010902 | 0.67 | — | — | |
| SCHEMBL16372492 | 0.67 | QPCT (0.50) | GAAALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL5455098 | 0.67 | — | — | |
| SCHEMBL2834328 | 0.67 | EPHX1 (0.50) | ALDH1A1KMT2AKDM4ESMN1; SMN2MMP1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113480524-A | Alkaloid hamacanthins series derivatives, and preparation method and application thereof | 河北工业大学 | 2021-10-08 | — | — | CN | claimed |
| CN-113480524-B | Alkaloid hamacanthins series derivatives, and preparation method and application thereof | 河北工业大学 | 2022-08-30 | — | — | CN | disclosed |
| CN-113480524-A | Alkaloid hamacanthins series derivatives, and preparation method and application thereof | 河北工业大学 | 2021-10-08 | — | — | CN | disclosed |