Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.45 |
| ▸ | MEN1 | O00255 | 3/20 | 0.45 |
| ▸ | USP2 | O75604 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | ERN1 | O75460 | 1/20 | 0.44 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.42 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.42 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6304224 | 0.83 | CYP1A2 (0.61) | TDP1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL30129703 | 0.83 | CYP1A2 (0.61) | TDP1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL27171448 | 0.80 | ERN1 (0.52) | TDP1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL6307194 | 0.80 | RXFP1 (0.56) | TDP1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL22159151 | 0.80 | ALDH1A1 (0.47) | TDP1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL18819878 | 0.79 | CYP1A2 (0.47) | TDP1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL18795118 | 0.79 | KMT2A (0.49) | ALDH1A1KMT2AMAPTKDM4EMEN1 | |
| SCHEMBL8643542 | 0.79 | ALDH1A1 (0.49) | ALDH1A1KMT2AMAPTKDM4EMEN1 | |
| SCHEMBL13997 | 0.78 | PSMB5 (0.47) | CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL715554 | 0.77 | ALDH1A1 (0.58) | TDP1CYP1A2CYP2C19ALDH1A1KMT2A |
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 |