Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDCD1 | Q15116 | 1/20 | 0.41 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.41 |
| ▸ | DHODH | Q02127 | 2/20 | 0.38 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.38 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.36 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | FABP2 | P12104 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.34 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
| ▸ | DRD3 | P35462 | 1/20 | 0.34 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.34 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28433870 | 0.84 | PDCD1 (0.50) | PDCD1CD274DHODHPTGER2KAT6A | |
| SCHEMBL10990692 | 0.81 | ALOX5AP (0.37) | PTGER2PTGS1MEN1PTGS2KMT2A | |
| SCHEMBL10972725 | 0.81 | PDCD1 (0.43) | PDCD1CD274ERBB2ESR2PTGS1 | |
| SCHEMBL16554648 | 0.80 | PDCD1 (0.42) | PDCD1CD274ERBB2ESR2PTGS1 | |
| SCHEMBL4486456 | 0.75 | PDCD1 (0.42) | PDCD1CD274DHODHKAT6AESR2 | |
| SCHEMBL5501718 | 0.74 | ALDH1A1 (0.44) | ESR2TSHRHPGDCYP2A6ALDH1A1 | |
| SCHEMBL15856379 | 0.73 | PDCD1 (0.41) | PDCD1CD274KAT6AESR2PTGS1 | |
| SCHEMBL27456057 | 0.72 | POLB (0.40) | PDCD1CD274KAT6AESR2PTGS1 | |
| SCHEMBL10985670 | 0.71 | GRIN1 (0.40) | PDCD1CD274KAT6AESR2PTGS1 | |
| SCHEMBL9792869 | 0.71 | PDCD1 (0.54) | PDCD1CD274ESR2PTGS1PTGS2 |
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-117729921-A | Compounds and methods as PD1/PD-L1 inhibitors | 朱比兰特普罗德尔有限公司 | 2024-03-19 | — | — | CN | disclosed |