Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDCD1 | Q15116 | 2/20 | 0.38 |
| ▸ | CD274 | Q9NZQ7 | 2/20 | 0.38 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.38 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.38 |
| ▸ | RAF1 | P04049 | 1/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | CTSS | P25774 | 1/20 | 0.35 |
| ▸ | CTSK | P43235 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7220029 | 0.89 | TSHR (0.44) | PDCD1CD274CHRNB2CHRNA4RAF1 | |
| SCHEMBL21705943 | 0.86 | TSHR (0.53) | CYP19A1TSHRHSD17B10 | |
| SCHEMBL26169758 | 0.86 | TSHR (0.53) | CYP19A1TSHRHSD17B10 | |
| SCHEMBL7213725 | 0.84 | CYP2A6 (0.48) | PDCD1CD274CHRNB2CHRNA4RAF1 | |
| SCHEMBL23783636 | 0.81 | CHRNA7 (0.41) | CHRNB2CHRNA4RAF1CYP11B1CYP11B2 | |
| SCHEMBL18728443 | 0.81 | CYP11B1 (0.36) | CHRNB2CHRNA4RAF1CYP11B1CYP11B2 | |
| SCHEMBL27209742 | 0.81 | HRH3 (0.37) | RAF1CYP11B1CYP11B2HSD17B10 | |
| SCHEMBL24107273 | 0.80 | GRIN1 (0.35) | CHRNB2CHRNA4RAF1CYP11B1CYP11B2 | |
| SCHEMBL22778574 | 0.80 | NOS1 (0.39) | PDCD1CD274TSHRHSD17B10 | |
| SCHEMBL24615861 | 0.80 | GRM5 (0.38) | PDCD1CD274RAF1CYP11B1CYP11B2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4043461-A1 | COMPOUND AS SMALL MOLECULE INHIBITOR PD-1/PD-L1 AND APPLICATION THEREOF | Medshine Discovery Inc. (CN) | 2022-08-17 | — | — | EP | disclosed |
| WO-2019046784-A1 | COMPOUNDS AND METHODS FOR MODULATING ADENOSINE A2B RECEPTOR AND ADENOSINE A2A RECEPTOR | CORVUS PHARMACEUTICALS, INC. (US) | 2019-03-07 | — | — | WO | disclosed |
| US-6603007-B1 | Intermediates in the fields of pharmaceuticals, agrichemicals, ligands, silver halide photosensitive materials, liquid crystals, surfactants, electrophotography and organic electroluminescence | SANKIO CHEMICAL CO., LTD. (JP) | 2003-08-05 | — | — | US | disclosed |
| EP-1231207-A1 | NOVEL BIPYRIDYL DERIVATIVES | Sankio Chemical Co., Ltd. (JP) | 2002-08-14 | — | — | EP | disclosed |