Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 4/20 | 0.78 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.78 |
| ▸ | CA2 | P00918 | 2/20 | 0.52 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.48 |
| ▸ | ABAT | P80404 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | BLM | P54132 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | GMNN | O75496 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | CA3 | P07451 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | TYR | P14679 | 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 | |
|---|---|---|---|---|
| Parahydroxybenzyl Alcohol SCHEMBL62690 | 0.91 | — | — | |
| Parahydroxybenzyl Alcohol SCHEMBL10792062 | 0.88 | ESR1 (0.58) | ESR1ESR2CA2ABATTSHR | |
| SCHEMBL11318432 | 0.88 | TSHR (0.56) | ESR1ESR2CA2TSHRALDH1A1 | |
| SCHEMBL2969737 | 0.88 | ESR1 (1.00) | ESR1ESR2CA2KEAP1ABAT | |
| SCHEMBL260498 | 0.88 | TSHR (0.56) | ESR1ESR2CA2TSHRALDH1A1 | |
| SCHEMBL36454 | 0.88 | ESR1 (1.00) | ESR1ESR2CA2KEAP1ABAT | |
| SCHEMBL12092808 | 0.83 | ESR1 (0.61) | ESR1ESR2CA2ABATTSHR | |
| SCHEMBL690149 | 0.83 | ESR1 (0.61) | ESR1ESR2CA2ABATTSHR | |
| SCHEMBL833872 | 0.80 | ESR1 (0.82) | ESR1ESR2CA2KEAP1ABAT | |
| SCHEMBL1121382 | 0.80 | ESR1 (0.82) | ESR1ESR2CA2KEAP1ABAT |
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 |
|---|---|---|---|---|---|---|---|
| US-9365510-B2 | Aziridine bisphenol ethers and related compounds and methods for their use | BRITISH COLUMBIA CANCER AGENCY BRANCH (CA) | 2016-06-14 | — | — | US | disclosed |