Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 3/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | MPI | P34949 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | BACE1 | P56817 | 3/20 | 0.47 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.45 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.42 |
| ▸ | PDE4A | P27815 | 2/20 | 0.42 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.42 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.42 |
| ▸ | PELI1 | Q96FA3 | 1/20 | 0.41 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 2/20 | 0.40 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | CYTH2 | Q99418 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL30693664 | 0.94 | ESR2 (0.62) | ESR2ALDH1A1MAPTHPGDKDM4E | |
| SCHEMBL1513560 | 0.87 | ESR2 (0.57) | ESR2ALDH1A1MAPTHPGDKDM4E | |
| SCHEMBL11328974 | 0.85 | ALDH1A1 (0.57) | ESR2ALDH1A1MAPTHPGDKDM4E | |
| SCHEMBL15261306 | 0.83 | ALDH1A1 (0.59) | ESR2ALDH1A1MAPTHPGDKDM4E | |
| SCHEMBL8337717 | 0.82 | ESR2 (0.62) | ESR2ALDH1A1MAPTHPGDKDM4E | |
| SCHEMBL2861284 | 0.82 | ESR2 (0.62) | ESR2ALDH1A1MAPTHPGDKDM4E | |
| SCHEMBL28926510 | 0.79 | ESR2 (0.57) | ESR2ALDH1A1MAPTHPGDKDM4E | |
| SCHEMBL27770560 | 0.77 | ESR2 (0.45) | ESR2ALDH1A1MAPTHPGDKDM4E | |
| SCHEMBL15856517 | 0.76 | ESR2 (0.41) | ESR2ALDH1A1MAPTKDM4EMEN1 | |
| SCHEMBL27986023 | 0.76 | ESR2 (0.46) | ESR2ALDH1A1MAPTBACE1ALOX5 |
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-2021211982-A2 | REGIOSELECTIVE SYNTHESIS OF SUBSTITUTED COMPOUNDS | OREGON STATE UNIVERSITY (US) | 2021-10-21 | — | — | WO | disclosed |