Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSD | P07339 | 1/20 | 0.49 |
| ▸ | BACE1 | P56817 | 1/20 | 0.49 |
| ▸ | LCK | P06239 | 1/20 | 0.47 |
| ▸ | KDR | P35968 | 1/20 | 0.47 |
| ▸ | JAK3 | P52333 | 1/20 | 0.47 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 8/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.46 |
| ▸ | CLK4 | Q9HAZ1 | 8/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 7/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 7/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | CA12 | O43570 | 2/20 | 0.44 |
| ▸ | CA9 | Q16790 | 2/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL3689077 | 0.80 | ALOX5AP (0.46) | CTSDBACE1LCKKDRJAK3 | |
| SCHEMBL5737521 | 0.80 | MCL1 (0.54) | CTSDBACE1LCKKDRJAK3 | |
| SCHEMBL12999319 | 0.78 | ALDH1A1 (0.50) | CTSDBACE1LCKKDRJAK3 | |
| SCHEMBL5735316 | 0.78 | ALDH1A1 (0.51) | TSHRALDH1A1NPC1RAB9A | |
| SCHEMBL14475320 | 0.77 | CRHBP (0.45) | BACE1ALDH1A1MAPK1LMNANPC1 | |
| SCHEMBL3971606 | 0.77 | MCL1 (0.58) | TSHRALDH1A1MCL1 | |
| SCHEMBL1767888 | 0.76 | CYP1A2 (0.57) | CTSDBACE1LCKKDRJAK3 | |
| SCHEMBL7936530 | 0.74 | ERN1 (0.51) | TSHRALDH1A1MEN1KMT2A | |
| SCHEMBL5157768 | 0.73 | CTSD (0.60) | CTSDBACE1LCKKDRJAK3 | |
| SCHEMBL5711185 | 0.72 | TSHR (0.58) | TSHRALDH1A1CYP1A2CYP2C19CA12 |
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-110799509-A | PD-1/PD-L1 inhibitors | 吉利德科学公司 | 2020-02-14 | — | — | CN | disclosed |