Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MGLL | Q99685 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | MAOB | P27338 | 2/20 | 0.37 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4819507 | 0.90 | TRPM8 (0.41) | MGLLCYP1A2HPGDKDM4EALDH1A1 | |
| SCHEMBL1579763 | 0.90 | MGLL (0.43) | MGLLCYP1A2HPGDKDM4EALDH1A1 | |
| SCHEMBL38654486 | 0.90 | TRPM8 (0.41) | MGLLCYP1A2HPGDKDM4EALDH1A1 | |
| SCHEMBL1579761 | 0.90 | MGLL (0.43) | MGLLCYP1A2HPGDKDM4EALDH1A1 | |
| SCHEMBL4258906 | 0.89 | MGLL (0.46) | MGLLHPGDALDH1A1SMN1; SMN2HDAC3 | |
| SCHEMBL4258903 | 0.89 | MGLL (0.46) | MGLLHPGDALDH1A1SMN1; SMN2HDAC3 | |
| SCHEMBL14405842 | 0.88 | MGLL (0.42) | MGLLCYP1A2HPGDKDM4EALDH1A1 | |
| SCHEMBL3719479 | 0.88 | MEN1 (0.47) | MGLLCYP1A2HPGDKDM4EALDH1A1 | |
| SCHEMBL3719478 | 0.88 | MEN1 (0.47) | MGLLCYP1A2HPGDKDM4EALDH1A1 | |
| SCHEMBL15341322 | 0.87 | HDAC8 (0.43) | MGLLCYP1A2HPGDKDM4EALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023160011-A1 | β‑ELEMENE DERIVATIVE CONTAINING N-OH BOND, PREPARATION METHOD THEREFOR AND USE THEREOF | 杭州师范大学 | 2023-08-31 | — | — | WO | disclosed |