Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.62 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.62 |
| ▸ | GAA | P10253 | 6/20 | 0.62 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.62 |
| ▸ | HPGD | P15428 | 3/20 | 0.62 |
| ▸ | MAPT | P10636 | 3/20 | 0.62 |
| ▸ | GLA | P06280 | 2/20 | 0.62 |
| ▸ | CASP1 | P29466 | 1/20 | 0.62 |
| ▸ | CASP7 | P55210 | 1/20 | 0.62 |
| ▸ | ATM | Q13315 | 1/20 | 0.62 |
| ▸ | ABL1 | P00519 | 1/20 | 0.60 |
| ▸ | CFTR | P13569 | 3/20 | 0.55 |
| ▸ | TSHR | P16473 | 3/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA7 | P43166 | 1/20 | 0.43 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.43 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL1129609 | 0.86 | ALDH1A1 (0.58) | ALDH1A1KDM4EGAAHSD17B10HPGD | |
| Hydrochloric Acid SCHEMBL296819 | 0.85 | ALDH1A1 (0.57) | ALDH1A1KDM4EGAAHSD17B10HPGD | |
| SCHEMBL8762164 | 0.84 | CA12 (0.47) | ALDH1A1KDM4EGAAHSD17B10HPGD | |
| SCHEMBL31519938 | 0.84 | ALDH1A1 (0.51) | ALDH1A1KDM4EGAAHSD17B10HPGD | |
| SCHEMBL4440051 | 0.82 | ALDH1A1 (0.57) | ALDH1A1KDM4EGAAHSD17B10HPGD | |
| SCHEMBL3165135 | 0.81 | CA12 (0.62) | ALDH1A1KDM4EGAAHSD17B10HPGD | |
| SCHEMBL8654410 | 0.80 | ALDH1A1 (0.49) | ALDH1A1KDM4EGAAHSD17B10HPGD | |
| SCHEMBL10737973 | 0.80 | KLKB1 (0.42) | ALDH1A1KDM4EGAAHSD17B10HPGD | |
| SCHEMBL1110874 | 0.79 | NQO2 (0.52) | ALDH1A1KDM4EGAAHSD17B10HPGD | |
| SCHEMBL19874811 | 0.79 | SLC16A3 (0.44) | ALDH1A1KDM4EGAAHSD17B10HPGD |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020246487-A1 | COMPOUNDS HAVING DISPIRO DIKETOPIPERAZINE STRUCTURE | 第一三共株式会社 | 2020-12-10 | — | — | WO | disclosed |