Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 3/20 | 0.48 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 5/20 | 0.44 |
| ▸ | NQO2 | P16083 | 4/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.44 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | CISD1 | Q9NZ45 | 1/20 | 0.39 |
| ▸ | TTR | P02766 | 2/20 | 0.39 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.39 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | CA12 | O43570 | 2/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7095950 | 1.00 | ESR1 (0.48) | ESR1ESR2KDM4EALDH1A1PTGS2 | |
| SCHEMBL8983605 | 0.82 | ALDH1A1 (0.53) | KDM4EALDH1A1PTGS2NQO2PTGS1 | |
| SCHEMBL1758369 | 0.82 | ALDH1A1 (0.53) | KDM4EALDH1A1PTGS2NQO2PTGS1 | |
| SCHEMBL28660052 | 0.77 | ESR1 (0.59) | ESR1ESR2KDM4EALDH1A1PTGS2 | |
| SCHEMBL3889139 | 0.73 | ESR1 (0.50) | ESR1ESR2KDM4EALDH1A1PTGS2 | |
| SCHEMBL18099125 | 0.73 | ESR1 (0.50) | ESR1ESR2KDM4EALDH1A1PTGS2 | |
| SCHEMBL1401422 | 0.72 | ESR1 (0.54) | ESR1ESR2KDM4EALDH1A1PTGS2 | |
| SCHEMBL8145559 | 0.72 | ALDH1A1 (0.52) | ESR1ESR2KDM4EALDH1A1PTGS2 | |
| SCHEMBL276966 | 0.71 | ESR1 (0.62) | ESR1ESR2KDM4EALDH1A1PTGS2 | |
| SCHEMBL9464901 | 0.70 | ESR1 (0.50) | ESR1ESR2KDM4EALDH1A1PTGS2 |
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-2003082233-A1 | ALLYL-PHENOL COMPOUNDS IN ANDROGENIC DISORDERS | GHISALBERTI CARLO (BR) | 2003-10-09 | — | — | WO | disclosed |