Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 3/20 | 0.39 |
| ▸ | GSK3B | P49841 | 2/20 | 0.39 |
| ▸ | PLOD2 | O00469 | 2/20 | 0.38 |
| ▸ | MMP2 | P08253 | 1/20 | 0.38 |
| ▸ | MMP12 | P39900 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | MMP1 | P03956 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | PLOD3 | O60568 | 1/20 | 0.33 |
| ▸ | PLOD1 | Q02809 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.33 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.33 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.33 |
| ▸ | CES2 | O00748 | 1/20 | 0.32 |
| ▸ | CES1 | P23141 | 1/20 | 0.32 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL396689 | 0.85 | PTPN1 (0.48) | PTPN1GSK3BPLOD2GAANPC1 | |
| SCHEMBL2074862 | 0.78 | PLOD2 (0.60) | PTPN1GSK3BPLOD2NPC1RAB9A | |
| SCHEMBL22163776 | 0.76 | GSK3B (0.57) | PTPN1GSK3BNPC1RAB9ACES2 | |
| SCHEMBL20202561 | 0.76 | GSK3B (0.55) | GSK3BGAANPC1RAB9AALDH1A1 | |
| SCHEMBL6630244 | 0.76 | PTPN1 (0.66) | PTPN1GSK3BMMP2MMP1ALDH1A1 | |
| SCHEMBL10812330 | 0.76 | GSK3B (0.57) | GSK3BNPC1RAB9AALDH1A1CES2 | |
| SCHEMBL28418536 | 0.76 | TPMT (0.46) | PTPN1GSK3BPLOD2GAANPC1 | |
| SCHEMBL70367 | 0.75 | CES1 (0.56) | PTPN1GSK3BPLOD2GAANPC1 | |
| SCHEMBL11720291 | 0.75 | GSK3B (0.44) | PTPN1GSK3BMMP2MMP12GAA | |
| SCHEMBL6577188 | 0.74 | SMN1; SMN2 (0.53) | GSK3BMMP2MMP12GAANPC1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113277934-A | Euphorbia lathyris diterpene derivatives with MDR reversion activity and application thereof | 中国科学院成都生物研究所 | 2021-08-20 | — | — | CN | disclosed |