Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 12/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 11/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 7/20 | 0.46 |
| ▸ | HPGD | P15428 | 5/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 9/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 6/20 | 0.43 |
| ▸ | TSHR | P16473 | 4/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.39 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.39 |
| ▸ | CDC42BPB | Q9Y5S2 | 1/20 | 0.39 |
| ▸ | AKT1 | P31749 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 3/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | CLK4 | Q9HAZ1 | 4/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL25273633 | 0.82 | ALDH1A1 (0.51) | CYP1A2CYP3A4ALDH1A1HSD17B10HPGD | |
| SCHEMBL30704186 | 0.82 | CYP1A2 (0.63) | CYP1A2CYP3A4ALDH1A1HSD17B10HPGD | |
| SCHEMBL31540824 | 0.79 | CYP1A2 (0.46) | CYP1A2CYP3A4ALDH1A1HSD17B10HPGD | |
| SCHEMBL31501707 | 0.79 | CYP2D6 (0.46) | CYP1A2CYP3A4ALDH1A1HSD17B10HPGD | |
| SCHEMBL25268625 | 0.79 | CYP2D6 (0.46) | CYP1A2CYP3A4ALDH1A1HSD17B10HPGD | |
| SCHEMBL31501681 | 0.78 | CYP1A2 (0.51) | CYP1A2CYP3A4ALDH1A1HSD17B10HPGD | |
| SCHEMBL31027439 | 0.78 | CYP1A2 (0.51) | CYP1A2CYP3A4ALDH1A1HSD17B10HPGD | |
| SCHEMBL25276551 | 0.78 | CYP1A2 (0.51) | CYP1A2CYP3A4ALDH1A1HSD17B10HPGD | |
| SCHEMBL31540834 | 0.77 | JAK3 (0.53) | CYP1A2CYP3A4ALDH1A1KDM4ECYP2D6 | |
| SCHEMBL25269396 | 0.75 | ALDH1A1 (0.54) | CYP1A2CYP3A4ALDH1A1HSD17B10HPGD |
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-119630676-A | Pyrido [4,3-D ] pyrimidine derivatives as KRAS inhibitors | 百时美施贵宝公司 | 2025-03-14 | — | — | CN | disclosed |