Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 3/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.41 |
| ▸ | MGLL | Q99685 | 2/20 | 0.41 |
| ▸ | FAAH | O00519 | 1/20 | 0.41 |
| ▸ | TLR8 | Q9NR97 | 5/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.37 |
| ▸ | TYR | P14679 | 1/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28440804 | 1.00 | PTGS1 (0.41) | PTGS1PTGS2MGLLFAAHTLR8 | |
| SCHEMBL28435216 | 1.00 | PTGS1 (0.41) | PTGS1PTGS2MGLLFAAHTLR8 | |
| SCHEMBL11449602 | 0.77 | AURKA (0.59) | TLR8CYP1A2CYP2C19MEN1CYP2C9 | |
| SCHEMBL16812286 | 0.77 | TYR (0.41) | TLR8TDP1TYRNPC1L3MBTL1 | |
| SCHEMBL7196320 | 0.73 | ADORA2B (0.49) | PTGS1PTGS2MGLLFAAHTLR8 | |
| SCHEMBL18161040 | 0.72 | TYR (0.38) | TLR8CYP1A2CYP2C19CYP2C9ALDH1A1 | |
| SCHEMBL4146972 | 0.71 | ADORA2B (0.40) | PTGS1PTGS2MGLLFAAHTLR8 | |
| SCHEMBL2215259 | 0.70 | CYP1A2 (0.60) | TLR8CYP1A2CYP2C19TDP1GAA | |
| SCHEMBL4685541 | 0.70 | TDP1 (0.41) | PTGS1PTGS2MGLLFAAHTLR8 | |
| SCHEMBL4156451 | 0.68 | PDE4A (0.43) | TDP1TYRL3MBTL1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111533741-B | Macrocyclic compound with hydrophobic inner cavity and preparation method thereof | 江南大学 | 2021-04-30 | — | — | CN | disclosed |
| CN-111533741-A | Macrocyclic compound with hydrophobic inner cavity and preparation method thereof | 江南大学 | 2020-08-14 | — | — | CN | disclosed |