Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | KCNN4 | O15554 | 3/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.38 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9439081 | 0.79 | ALDH1A1 (0.52) | CYP1A2ALDH1A1TSHRCYP2C9CYP2D6 | |
| SCHEMBL4770840 | 0.77 | CYP1A2 (0.47) | CYP1A2ALDH1A1TSHRCYP2C9CYP2D6 | |
| SCHEMBL11500986 | 0.77 | CYP1A2 (0.34) | CYP1A2ALDH1A1TSHRCYP2C9CYP2D6 | |
| SCHEMBL548166 | 0.76 | CYP1A2 (0.54) | CYP1A2ALDH1A1TSHRCYP2C9CYP2D6 | |
| SCHEMBL15376730 | 0.74 | CYP2C9 (0.47) | CYP1A2ALDH1A1TSHRCYP2C9CYP2D6 | |
| SCHEMBL611835 | 0.73 | KCNN4 (0.42) | CYP1A2ALDH1A1TSHRCYP2D6MAPT | |
| SCHEMBL27770317 | 0.73 | CYP1A2 (0.45) | CYP1A2ALDH1A1TSHRCYP2C9CYP2D6 | |
| SCHEMBL7587301 | 0.73 | MAPT (0.47) | CYP1A2ALDH1A1TSHRCYP2C9CYP2D6 | |
| SCHEMBL548046 | 0.71 | ALDH1A1 (0.43) | CYP1A2ALDH1A1TSHRMAPTKMT2A | |
| SCHEMBL1332508 | 0.70 | CYP2C9 (0.41) | CYP1A2ALDH1A1TSHRCYP2C9MAPT |
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-115279206-A | Flavor composition | 弗门尼舍有限公司 | 2022-11-01 | — | — | CN | disclosed |