Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 3/20 | 0.67 |
| ▸ | PTGS2 | P35354 | 5/20 | 0.63 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.53 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.53 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.52 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.45 |
| ▸ | RELA | Q04206 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL4612465 | 0.86 | ESR1 (0.78) | ESR1PTGS2CYP19A1CYP11B2ESR2 | |
| Benzene SCHEMBL27868814 | 0.84 | ESR1 (0.74) | ESR1PTGS2CYP19A1CYP11B2ESR2 | |
| SCHEMBL55433 | 0.84 | ESR1 (0.74) | ESR1PTGS2CYP19A1CYP11B2ESR2 | |
| Hydrochloric Acid SCHEMBL28642233 | 0.81 | ESR1 (0.71) | ESR1PTGS2CYP19A1CYP11B2ESR2 | |
| Phosphine SCHEMBL28461311 | 0.81 | ESR1 (0.71) | ESR1PTGS2CYP19A1CYP11B2ESR2 | |
| SCHEMBL4272869 | 0.81 | ESR1 (0.71) | ESR1PTGS2CYP19A1CYP11B2ESR2 | |
| Bromide SCHEMBL28733230 | 0.81 | ESR1 (0.71) | ESR1PTGS2CYP19A1CYP11B2ESR2 | |
| SCHEMBL4272880 | 0.81 | ESR1 (0.71) | ESR1PTGS2CYP19A1CYP11B2ESR2 | |
| SCHEMBL30366689 | 0.81 | ESR1 (0.71) | ESR1PTGS2CYP19A1CYP11B2ESR2 | |
| SCHEMBL242155 | 0.80 | ESR1 (0.69) | ESR1PTGS2CYP19A1CYP11B2ESR2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0430129-A2 | Novel phenylethylene derivatives, processes for preparing the same and intermediates therefor | TANABE SEIYAKU CO., LTD. (JP) | 1991-06-05 | — | — | EP | disclosed |