Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 6/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | CNR1 | P21554 | 5/20 | 0.43 |
| ▸ | CNR2 | P34972 | 5/20 | 0.43 |
| ▸ | KLF10 | Q13118 | 1/20 | 0.38 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.38 |
| ▸ | FYN | P06241 | 1/20 | 0.38 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.38 |
| ▸ | PIM1 | P11309 | 1/20 | 0.38 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL745012 | 0.87 | ESR1 (0.59) | ESR1ESR2ALDH1A1CYP3A4ALOX15 | |
| SCHEMBL29547368 | 0.87 | ESR1 (0.59) | ESR1ESR2ALDH1A1CYP3A4ALOX15 | |
| SCHEMBL18635220 | 0.83 | ESR1 (0.69) | ESR1ESR2ALDH1A1CYP3A4ALOX15 | |
| SCHEMBL18635219 | 0.83 | ESR1 (0.69) | ESR1ESR2ALDH1A1CYP3A4ALOX15 | |
| SCHEMBL565029 | 0.82 | ALDH1A1 (0.63) | ESR1ESR2ALDH1A1CYP3A4ALOX15 | |
| Toluene SCHEMBL28248787 | 0.81 | CNR1 (0.57) | ESR1ESR2ALDH1A1CYP3A4ALOX15 | |
| SCHEMBL22609052 | 0.81 | ESR1 (0.53) | ESR1ESR2ALDH1A1CYP3A4ALOX15 | |
| SCHEMBL8444021 | 0.80 | ESR1 (0.50) | ESR1ESR2ALDH1A1CYP3A4ALOX15 | |
| SCHEMBL11205966 | 0.79 | ALDH1A1 (0.53) | ESR1ESR2ALDH1A1CYP3A4ALOX15 | |
| SCHEMBL7705085 | 0.79 | ESR1 (0.57) | ESR1ESR2ALDH1A1CYP3A4ALOX15 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1485422-A1 | CATALYTIC SYSTEMS | Cyclics Corporation (US) | 2004-12-15 | — | — | EP | disclosed |
| WO-2003080705-A1 | CATALYTIC SYSTEMS | CYCLICS CORPORATION (US) | 2003-10-02 | — | — | WO | disclosed |