Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | HMGCR | P04035 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.35 |
| ▸ | ACLY | P53396 | 3/20 | 0.33 |
| ▸ | CPT2 | P23786 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7516558 | 0.79 | ALDH1A1 (0.43) | ALDH1A1CYP2D6TSHRCYP2C19HIF1A | |
| SCHEMBL2315211 | 0.77 | ALDH1A1 (0.42) | ALDH1A1CYP2D6TSHRCYP2C19HIF1A | |
| SCHEMBL17224735 | 0.76 | ALDH1A1 (0.37) | ALDH1A1CYP2D6TSHRCYP2C19HIF1A | |
| SCHEMBL9483954 | 0.76 | ALDH1A1 (0.46) | ALDH1A1CYP2D6TSHRCYP2C19HIF1A | |
| SCHEMBL21647263 | 0.76 | ALDH1A1 (0.46) | ALDH1A1CYP2D6TSHRCYP2C19HIF1A | |
| SCHEMBL27902708 | 0.75 | CYP2C19 (0.44) | ALDH1A1CYP2D6TSHRCYP2C19HIF1A | |
| SCHEMBL27216663 | 0.75 | CYP2C19 (0.39) | ALDH1A1CYP2D6TSHRCYP2C19HIF1A | |
| SCHEMBL28390182 | 0.74 | ALDH1A1 (0.43) | ALDH1A1CYP2D6TSHRCYP2C19HIF1A | |
| SCHEMBL108616 | 0.74 | ALDH1A1 (0.43) | ALDH1A1CYP2D6TSHRCYP2C19HIF1A | |
| SCHEMBL1414703 | 0.74 | ALDH1A1 (0.43) | 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-105236468-A | Alumina-doped mesoporous zinc oxide material having uniform pore channels, and preparation method thereof | UNIV FUDAN | 2016-01-13 | — | — | CN | disclosed |