Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL356683 | 0.90 | CYP3A4 (0.42) | ESR1ESR2CYP3A4TDP1 | |
| SCHEMBL234550 | 0.90 | CYP3A4 (0.42) | ESR1ESR2CYP3A4TDP1 | |
| SCHEMBL4619337 | 0.88 | CYP3A4 (0.41) | ESR1ESR2CYP3A4TDP1 | |
| SCHEMBL16180769 | 0.88 | CYP3A4 (0.41) | ESR1ESR2CYP3A4TDP1 | |
| SCHEMBL42059 | 0.80 | CYP1A2 (0.37) | ESR1ESR2CYP3A4TDP1 | |
| SCHEMBL2776537 | 0.80 | CYP1A2 (0.37) | ESR1ESR2CYP3A4TDP1 | |
| SCHEMBL4744273 | 0.77 | CYP3A4 (0.31) | CYP3A4TDP1 | |
| SCHEMBL1443600 | 0.77 | CYP2A6 (0.35) | TDP1 | |
| SCHEMBL7592241 | 0.75 | SMN1; SMN2 (0.40) | TDP1 | |
| SCHEMBL900597 | 0.74 | — | — |
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-1807437-A1 | LIGANDS FOR USE IN ASYMMETRIC HYDROFORMYLATION | BASF AKTIENGESELLSCHAFT (DE) | 2007-07-18 | — | — | EP | disclosed |
| WO-2006045597-A1 | LIGANDS FOR USE IN ASYMMETRIC HYDROFORMYLATION | BASF AKTIENGESELLSCHAFT (DE) | 2006-05-04 | — | — | WO | disclosed |