Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | HMGCR | P04035 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | ACLY | P53396 | 3/20 | 0.34 |
| ▸ | CPT2 | P23786 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL3930895 | 0.86 | ALDH1A1 (0.48) | ALDH1A1CYP2D6TSHRCYP2C19HIF1A | |
| SCHEMBL11211995 | 0.77 | CYP2D6 (0.44) | ALDH1A1CYP2D6TSHRCYP2C19HIF1A | |
| SCHEMBL27323864 | 0.75 | ALDH1A1 (0.39) | ALDH1A1CYP2D6TSHRCYP2C19HIF1A | |
| SCHEMBL9060737 | 0.74 | — | — | |
| SCHEMBL11583210 | 0.72 | ALDH1A1 (0.37) | ALDH1A1CYP2D6TSHRCYP2C19HIF1A | |
| SCHEMBL2128732 | 0.70 | — | — | |
| Guanidine SCHEMBL27765381 | 0.69 | CYP2C19 (0.37) | ALDH1A1CYP2D6TSHRCYP2C19HIF1A | |
| SCHEMBL14940 | 0.69 | ALDH1A1 (0.55) | ALDH1A1CYP2D6TSHRCYP2C19HIF1A | |
| SCHEMBL4165620 | 0.67 | — | — | |
| SCHEMBL10797042 | 0.67 | ALDH1A1 (0.52) | ALDH1A1CYP2D6TSHRCYP2C19HIF1A |
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-114594084-A | Crystal violet SERS spectrum detection method based on silver nanoparticle/silicon pyramid array | 兰州大学 | 2022-06-07 | — | — | CN | disclosed |