Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | GSK3A | P49840 | 1/20 | 0.43 |
| ▸ | GSK3B | P49841 | 1/20 | 0.43 |
| ▸ | CCR5 | P51681 | 2/20 | 0.42 |
| ▸ | CHKA | P35790 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | FAAH | O00519 | 1/20 | 0.40 |
| ▸ | DRD4 | P21917 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL24152329 | 0.92 | GSK3B (0.50) | DRD2CYP2D6ALDH1A1GSK3AGSK3B | |
| SCHEMBL24939995 | 0.85 | HDAC3 (0.42) | CYP2D6ALDH1A1 | |
| SCHEMBL30336973 | 0.83 | KMT2A (0.49) | CHKAFAAHDRD4MEN1KMT2A | |
| SCHEMBL24939944 | 0.81 | PTPN1 (0.35) | DRD2CYP2D6ALDH1A1GSK3AGSK3B | |
| SCHEMBL30336993 | 0.80 | TP53 (0.45) | ALDH1A1TSHRL3MBTL1FAAHKDM4E | |
| SCHEMBL24939938 | 0.80 | P2RX4 (0.38) | DRD2GSK3AGSK3BL3MBTL1DRD4 | |
| SCHEMBL1351210 | 0.78 | DRD2 (0.44) | DRD2CYP2D6ALDH1A1GSK3AGSK3B | |
| SCHEMBL24145803 | 0.78 | ENPP2 (0.48) | DRD2CYP2D6ALDH1A1TSHRCCR5 | |
| SCHEMBL23334388 | 0.78 | DRD2 (0.31) | DRD2 | |
| SCHEMBL28980918 | 0.78 | ALDH1A1 (0.39) | CYP2D6ALDH1A1GSK3AGSK3BL3MBTL1 |
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-115916206-A | Novel compound and pharmaceutical composition for preventing or treating resistant cancer comprising same | 治愈医药社株式会社 | 2023-04-04 | — | — | CN | disclosed |