Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC7A5 | Q01650 | 3/20 | 0.47 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.47 |
| ▸ | PKM | P14618 | 2/20 | 0.47 |
| ▸ | ALPI | P09923 | 1/20 | 0.47 |
| ▸ | XIAP | P98170 | 1/20 | 0.47 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.47 |
| ▸ | USP2 | O75604 | 3/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | RECQL | P46063 | 2/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.45 |
| ▸ | EGFR | P00533 | 1/20 | 0.45 |
| ▸ | LCK | P06239 | 1/20 | 0.45 |
| ▸ | FYN | P06241 | 1/20 | 0.45 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.45 |
| ▸ | HTR2A | P28223 | 1/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL16095308 | 1.00 | SLC7A5 (0.47) | SLC7A5PTGS1PKMALPIXIAP | |
| SCHEMBL17596661 | 0.92 | SLC7A5 (0.52) | SLC7A5PTGS1PKMALPIXIAP | |
| SCHEMBL28485421 | 0.92 | SLC7A5 (0.52) | SLC7A5PTGS1PKMALPIXIAP | |
| SCHEMBL158046 | 0.88 | SLC7A5 (0.55) | SLC7A5PTGS1PKMALPIXIAP | |
| SCHEMBL158047 | 0.88 | SLC7A5 (0.55) | SLC7A5PTGS1PKMALPIXIAP | |
| SCHEMBL2130333 | 0.88 | SLC7A5 (0.55) | SLC7A5PTGS1PKMALPIXIAP | |
| Hydrochloric Acid SCHEMBL1246362 | 0.86 | SLC7A5 (0.53) | SLC7A5PTGS1PKMALPIXIAP | |
| SCHEMBL15085642 | 0.86 | GRIA2 (0.49) | SLC7A5PTGS1PKMALPIXIAP | |
| SCHEMBL9951717 | 0.82 | SLC7A5 (0.58) | SLC7A5PTGS1PKMALPIXIAP | |
| SCHEMBL9951720 | 0.82 | SLC7A5 (0.58) | SLC7A5PTGS1PKMALPIXIAP |
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-106999536-B | Macrocyclic inhibitors of PD-1/PD-L1 and CD80(B7-1)/PD-L1 protein/protein interactions | 百时美施贵宝公司 | 2020-11-27 | — | — | CN | disclosed |