Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.42 |
| ▸ | DEGS1 | O15121 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 5/20 | 0.37 |
| ▸ | RAB9A | P51151 | 4/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.37 |
| ▸ | RELA | Q04206 | 1/20 | 0.37 |
| ▸ | KIF11 | P52732 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.34 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.34 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL23718068 | 0.84 | ESR1 (0.44) | ESR1ESR2DEGS1NPC1RAB9A | |
| SCHEMBL14162935 | 0.84 | NPC1 (0.47) | ESR1ESR2DEGS1NPC1RAB9A | |
| SCHEMBL21840801 | 0.84 | ESR1 (0.39) | ESR1ESR2GAAHTTEPHX1 | |
| SCHEMBL24760555 | 0.83 | CYP1A2 (0.47) | ESR1ESR2DEGS1NPC1RAB9A | |
| SCHEMBL5691188 | 0.80 | SCN9A (0.37) | ESR1ESR2NFKB1 | |
| SCHEMBL5691191 | 0.80 | SCN9A (0.37) | ESR1ESR2NFKB1 | |
| SCHEMBL8271435 | 0.80 | RAB9A (0.42) | ESR1ESR2DEGS1NPC1RAB9A | |
| SCHEMBL7051294 | 0.79 | ESR1 (0.33) | ESR1ESR2NFKB1KEAP1NFE2L2 | |
| SCHEMBL17658912 | 0.78 | SMN1; SMN2 (0.44) | ESR1ESR2DEGS1NPC1RAB9A | |
| SCHEMBL17658861 | 0.78 | SMN1; SMN2 (0.42) | ESR1ESR2NPC1RAB9AMAPT |
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-2022133034-A1 | METHODS OF TREATING DISORDERS ASSOCIATED WITH CASTOR | ST. JUDE CHILDREN'S RESEARCH HOSPITAL, INC. (US) | 2022-06-23 | — | — | WO | disclosed |