Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | GPR84 | Q9NQS5 | 5/20 | 0.37 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.36 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | PSMD14 | O00487 | 2/20 | 0.31 |
| ▸ | PLA2G1B | P04054 | 2/20 | 0.31 |
| ▸ | MMP2 | P08253 | 2/20 | 0.31 |
| ▸ | ATG4B | Q9Y4P1 | 2/20 | 0.31 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.31 |
| ▸ | RAD52 | P43351 | 1/20 | 0.31 |
| ▸ | ACACB | O00763 | 1/20 | 0.31 |
| ▸ | ACACA | Q13085 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL29093244 | 1.00 | TSHR (0.41) | TSHRGPR84FFAR4FFAR1NFKB1 | |
| SCHEMBL28572356 | 1.00 | TSHR (0.41) | TSHRGPR84FFAR4FFAR1NFKB1 | |
| SCHEMBL3829700 | 1.00 | TSHR (0.41) | TSHRGPR84FFAR4FFAR1NFKB1 | |
| SCHEMBL15102903 | 0.97 | FFAR4 (0.39) | TSHRGPR84FFAR4FFAR1NFKB1 | |
| SCHEMBL28578505 | 0.93 | GPR84 (0.42) | TSHRGPR84FFAR4FFAR1NFKB1 | |
| SCHEMBL28576044 | 0.93 | GPR84 (0.42) | TSHRGPR84FFAR4FFAR1NFKB1 | |
| SCHEMBL6716581 | 0.93 | GPR84 (0.42) | TSHRGPR84FFAR4FFAR1NFKB1 | |
| SCHEMBL11285353 | 0.91 | TSHR (0.35) | TSHRGPR84FFAR4FFAR1NFKB1 | |
| SCHEMBL23530055 | 0.90 | GPR84 (0.46) | TSHRGPR84FFAR4FFAR1NFKB1 | |
| SCHEMBL30787116 | 0.90 | GPR84 (0.46) | TSHRGPR84FFAR4FFAR1NFKB1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109336887-B | Benzimidazole chiral heterocyclic compound and preparation method and application thereof | 中山大学 | 2021-12-17 | — | — | CN | claimed |
| CN-106831862-B | Chiral bridged axial chiral monophosphine ligand and preparation method thereof | 中山大学 | 2021-01-15 | — | — | CN | claimed |
| CN-116947925-A | Bridged biphenyl monophosphine ligand containing benzofuran structure, and preparation method and application thereof | 中山大学 | 2023-10-27 | — | — | CN | disclosed |
| CN-109336887-B | Benzimidazole chiral heterocyclic compound and preparation method and application thereof | 中山大学 | 2021-12-17 | — | — | CN | disclosed |
| CN-106831862-B | Chiral bridged axial chiral monophosphine ligand and preparation method thereof | 中山大学 | 2021-01-15 | — | — | CN | disclosed |