Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | FAAH | O00519 | 6/20 | 0.51 |
| ▸ | CES1 | P23141 | 3/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.50 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.50 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| Stearic Acid SCHEMBL28405672 | 1.00 | CYP1A2 (0.54) | CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19 | |
| Palmitic Acid SCHEMBL28405218 | 1.00 | CYP1A2 (0.54) | CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19 | |
| Stearic Acid SCHEMBL2049195 | 0.91 | GPR84 (0.53) | ALDH1A1TSHRSLC22A6SLC22A8GPR84 | |
| Stearic Acid SCHEMBL2050045 | 0.91 | GPR84 (0.53) | ALDH1A1TSHRSLC22A6SLC22A8GPR84 | |
| Adipic Acid SCHEMBL28890670 | 0.91 | LTB4R (0.52) | CES1ALDH1A1 | |
| Linoleic Acid SCHEMBL28405992 | 0.90 | ALDH1A1 (0.62) | CYP1A2CYP19A1CYP2C9CYP2C19FAAH | |
| Stearic Acid SCHEMBL28410868 | 0.87 | CYP1A2 (0.50) | CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19 | |
| Stearic Acid SCHEMBL28405998 | 0.87 | CYP1A2 (0.50) | CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL28404841 | 0.87 | CYP1A2 (0.54) | CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19 | |
| Stearic Acid SCHEMBL28410768 | 0.87 | CYP1A2 (0.50) | CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19 |
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-111097050-A | Composition comprising fatty acid or derivative thereof and phenylpyridine derivative | 黄泳华 | 2020-05-05 | — | — | CN | disclosed |