Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 4/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.60 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.60 |
| ▸ | CD274 | Q9NZQ7 | 5/20 | 0.53 |
| ▸ | PDCD1 | Q15116 | 3/20 | 0.53 |
| ▸ | APP | P05067 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 4/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | NPBWR1 | P48145 | 2/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL22908677 | 0.89 | KMT2A (0.58) | GAAKMT2ATDP1CD274PDCD1 | |
| SCHEMBL22908646 | 0.82 | KMT2A (0.61) | GAAKMT2ATDP1CD274PDCD1 | |
| SCHEMBL22908696 | 0.81 | GAA (0.62) | GAAKMT2ATDP1CD274PDCD1 | |
| SCHEMBL22909492 | 0.80 | CD274 (0.64) | GAAKMT2ATDP1CD274PDCD1 | |
| SCHEMBL22908613 | 0.79 | APP (0.71) | GAAKMT2ATDP1CD274PDCD1 | |
| SCHEMBL22908615 | 0.79 | KMT2A (0.63) | GAAKMT2ATDP1CD274PDCD1 | |
| SCHEMBL11730124 | 0.76 | CD274 (0.68) | GAAKMT2ATDP1CD274PDCD1 | |
| SCHEMBL8621001 | 0.73 | KMT2A (0.58) | GAAKMT2ATDP1CD274PDCD1 | |
| SCHEMBL4663177 | 0.73 | CD274 (0.64) | GAAKMT2ATDP1CD274PDCD1 | |
| SCHEMBL9770297 | 0.72 | MAPT (0.60) | GAAKMT2ATDP1CD274PDCD1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021009384-A1 | NOVEL PYRAZOLONE DERIVATIVES AS PD-1/PD-L1 INTERACTION INHIBITORS | CENTRE HOSPITALIER REGIONAL UNIVERSITAIRE DE LILLE (FR) | 2021-01-21 | — | — | WO | disclosed |