Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 11/20 | 0.52 |
| ▸ | ESR2 | Q92731 | 6/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | CES2 | O00748 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | TYR | P14679 | 2/20 | 0.43 |
| ▸ | CA12 | O43570 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | CA3 | P07451 | 2/20 | 0.40 |
| ▸ | CA4 | P22748 | 2/20 | 0.40 |
| ▸ | CA9 | Q16790 | 2/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8177 | 0.91 | CES1 (0.40) | ESR1ESR2CYP3A4ALDH1A1CES2 | |
| SCHEMBL11591869 | 0.87 | ESR1 (0.65) | ESR1ESR2CYP3A4ALDH1A1CES2 | |
| SCHEMBL37079 | 0.87 | ESR1 (0.65) | ESR1ESR2CYP3A4ALDH1A1CES2 | |
| SCHEMBL17841 | 0.87 | ESR1 (0.65) | ESR1ESR2CYP3A4ALDH1A1CES2 | |
| SCHEMBL218636 | 0.87 | ESR1 (0.65) | ESR1ESR2CYP3A4ALDH1A1CES2 | |
| SCHEMBL723515 | 0.87 | ESR1 (0.65) | ESR1ESR2CYP3A4ALDH1A1CES2 | |
| SCHEMBL4196341 | 0.84 | CES2 (0.64) | ESR1ESR2CYP3A4ALDH1A1CES2 | |
| SCHEMBL11226922 | 0.84 | MEN1 (0.66) | ESR1ESR2CYP3A4ALDH1A1CES2 | |
| SCHEMBL23861614 | 0.82 | CA12 (0.64) | ESR1ESR2CYP3A4ALDH1A1CES2 | |
| SCHEMBL23484444 | 0.80 | MMP3 (0.64) | ESR1ESR2CYP3A4ALDH1A1LMNA |
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-5765562-A | IN A SAMPLE | NYCOMED IMAGING AS (NO) | 1998-06-16 | — | — | US | disclosed |