Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | KRAS | P01116 | 6/20 | 0.36 |
| ▸ | ACACB | O00763 | 2/20 | 0.36 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | OXER1 | Q8TDS5 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28360301 | 0.84 | MCL1 (0.44) | MCL1ALDH1A1KDM4EMEN1KMT2A | |
| SCHEMBL28360376 | 0.75 | MCL1 (0.49) | MCL1ALDH1A1KRASKDM4EL3MBTL1 | |
| SCHEMBL31435629 | 0.68 | MCL1 (0.64) | MCL1ALDH1A1KDM4EL3MBTL1 | |
| SCHEMBL1096993 | 0.68 | MCL1 (0.64) | MCL1ALDH1A1KDM4EL3MBTL1 | |
| SCHEMBL22529404 | 0.66 | MCL1 (0.53) | MCL1ALDH1A1NTSR1KDM4EMEN1 | |
| SCHEMBL418126 | 0.66 | MCL1 (1.00) | MCL1ALDH1A1KDM4EL3MBTL1 | |
| SCHEMBL1096760 | 0.66 | L3MBTL1 (0.70) | MCL1ALDH1A1KRASKDM4EL3MBTL1 | |
| SCHEMBL10084917 | 0.66 | MCL1 (0.69) | MCL1ALDH1A1KDM4EL3MBTL1 | |
| SCHEMBL28363847 | 0.65 | THRB (0.41) | KDM4EMEN1KMT2ATDP1L3MBTL1 | |
| SCHEMBL27764948 | 0.64 | MCL1 (0.50) | MCL1ALDH1A1KRAS |
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-110669046-B | Polysubstituted tetrahydro-gamma-carboline derivative with multiple chiral centers and preparation method of stereo diversity of polysubstituted tetrahydro-gamma-carboline derivative | 武汉大学 | 2021-07-06 | — | — | CN | disclosed |