Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPM4 | Q8TD43 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.38 |
| ▸ | NQO2 | P16083 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.36 |
| ▸ | PTPN22 | Q9Y2R2 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 4/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | MPI | P34949 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL114219 | 0.82 | ALDH1A1 (0.48) | ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2 | |
| SCHEMBL7943109 | 0.81 | ALDH1A1 (0.40) | ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2 | |
| SCHEMBL5032934 | 0.78 | TRPM4 (0.48) | TRPM4ALDH1A1HSD17B10HIF1ACYP1B1 | |
| SCHEMBL7950716 | 0.77 | ALDH1A1 (0.33) | ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2 | |
| SCHEMBL21812142 | 0.75 | CYP1A2 (0.45) | ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2 | |
| SCHEMBL21812143 | 0.75 | ALDH1A1 (0.38) | TRPM4ALDH1A1HSD17B10HIF1ACYP1B1 | |
| SCHEMBL533954 | 0.74 | CYP1A2 (0.46) | TRPM4ALDH1A1HSD17B10HIF1ACYP1B1 | |
| SCHEMBL20774056 | 0.74 | ALDH1A1 (0.45) | TRPM4ALDH1A1HSD17B10HIF1ACYP1B1 | |
| SCHEMBL7205754 | 0.71 | MAPT (0.40) | ALDH1A1CYP1A2HPGDKDM4EMEN1 | |
| SCHEMBL9191405 | 0.71 | PTPN22 (0.47) | ALDH1A1HSD17B10CYP1A2ALOX5PTPN22 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1229019-A1 | PROCESS FOR THE PRODUCTION OF OPTICALLY ACTIVE CYCLIC ENAMINONE DERIVATIVES | Takeda Chemical Industries, Ltd. (JP) | 2002-08-07 | — | — | EP | disclosed |