Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.76 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.76 |
| ▸ | TSHR | P16473 | 3/20 | 0.71 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.71 |
| ▸ | HTT | P42858 | 1/20 | 0.71 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | CCKBR | P32239 | 2/20 | 0.52 |
| ▸ | PDE5A | O76074 | 3/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL28632870 | 1.00 | KDM4E (0.76) | KDM4EALDH1A1TSHRHSD17B10HTT | |
| SCHEMBL28337770 | 1.00 | KDM4E (0.76) | KDM4EALDH1A1TSHRHSD17B10HTT | |
| SCHEMBL16892184 | 0.87 | KDM4E (0.98) | KDM4EALDH1A1TSHRHSD17B10HTT | |
| SCHEMBL2216780 | 0.87 | KDM4E (0.98) | KDM4EALDH1A1TSHRHSD17B10HTT | |
| SCHEMBL28336842 | 0.84 | KDM4E (0.55) | KDM4EALDH1A1TSHRHSD17B10HTT | |
| SCHEMBL28347982 | 0.84 | KDM4E (0.55) | KDM4EALDH1A1TSHRHSD17B10HTT | |
| SCHEMBL25282368 | 0.83 | KDM4E (1.00) | KDM4EALDH1A1TSHRHSD17B10HTT | |
| SCHEMBL16491970 | 0.83 | KDM4E (1.00) | KDM4EALDH1A1TSHRHSD17B10HTT | |
| SCHEMBL16892189 | 0.83 | KDM4E (1.00) | KDM4EALDH1A1TSHRHSD17B10HTT | |
| SCHEMBL17520531 | 0.83 | KDM4E (1.00) | KDM4EALDH1A1TSHRHSD17B10HTT |
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-108948155-B | 1R-methyl-beta-tetrahydrocarboline acyl-K (QRPAK) -RGDV, and synthesis, activity and application thereof | 首都医科大学 | 2021-09-24 | — | — | CN | disclosed |