Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | TSHR | P16473 | 4/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.34 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.33 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL24720587 | 0.91 | ESR2 (0.47) | ESR2CYP3A4ALDH1A1TSHRMAPK1 | |
| SCHEMBL24720257 | 0.84 | ESR2 (0.41) | ESR2CYP3A4ALDH1A1TSHRMAPK1 | |
| SCHEMBL24720574 | 0.83 | ESR2 (0.40) | ESR2CYP3A4ALDH1A1TSHRMAPK1 | |
| SCHEMBL24720935 | 0.80 | ESR2 (0.43) | ESR2CYP3A4ALDH1A1TSHRMAPK1 | |
| SCHEMBL24719632 | 0.80 | ESR2 (0.43) | ESR2CYP3A4ALDH1A1TSHRMAPK1 | |
| SCHEMBL24721426 | 0.77 | TNKS2 (0.40) | ESR2CYP3A4ALDH1A1TSHRMAPK1 | |
| SCHEMBL26976338 | 0.73 | CYP3A4 (0.74) | ESR2CYP3A4ALDH1A1TSHRMAPK1 | |
| SCHEMBL26976337 | 0.71 | CYP3A4 (0.71) | ESR2CYP3A4ALDH1A1TSHRMAPK1 | |
| SCHEMBL22453110 | 0.70 | TSHR (0.55) | ESR2CYP3A4ALDH1A1TSHRMAPK1 | |
| SCHEMBL24720517 | 0.69 | TLR8 (0.45) | ESR2ALDH1A1MAPTPTGS2MCL1 |
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-2022261204-A1 | ANTICANCER COMPOUNDS | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2022-12-15 | — | — | WO | disclosed |