Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 8/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.38 |
| ▸ | ESR1 | P03372 | 6/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | DGAT1 | O75907 | 4/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8835096 | 0.96 | ESR2 (0.37) | ESR2CYP2C9ESR1CYP3A4CHRM4 | |
| SCHEMBL8835095 | 0.86 | HTR2C (0.45) | ESR2CYP2C9ESR1CYP3A4ALDH1A1 | |
| SCHEMBL8835145 | 0.85 | ESR2 (0.37) | ESR2CYP2C9ESR1CYP3A4CYP2D6 | |
| SCHEMBL9477759 | 0.83 | ESR2 (0.42) | ESR2CYP2C9ESR1CYP3A4CHRM4 | |
| SCHEMBL9477767 | 0.83 | ESR2 (0.42) | ESR2CYP2C9ESR1CYP3A4CHRM4 | |
| SCHEMBL9477773 | 0.83 | ESR2 (0.42) | ESR2CYP2C9ESR1CYP3A4CHRM4 | |
| SCHEMBL9477756 | 0.83 | ESR2 (0.42) | ESR2CYP2C9ESR1CYP3A4CHRM4 | |
| SCHEMBL8835369 | 0.83 | ESR2 (0.34) | ESR2CYP2C9ESR1CYP3A4DGAT1 | |
| SCHEMBL8835131 | 0.83 | ESR2 (0.34) | ESR2CYP2C9ESR1CYP3A4DGAT1 | |
| SCHEMBL8835317 | 0.83 | CYP2C9 (0.42) | ESR2CYP2C9ESR1CYP3A4ALDH1A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5662830-A | Diene derivative | CHISSO CORPORATION (JP) | 1997-09-02 | — | — | US | disclosed |
| US-5609791-A | Diene derivative | CHISSO CORPORATION (JP) | 1997-03-11 | — | — | US | disclosed |
| EP-0563982-B1 | Polycyclic diene derivatives | CHISSO CORP (JP) | 1996-07-17 | — | — | EP | disclosed |
| US-5449810-A | Diene derivative | CHISSO CORPORATION (JP) | 1995-09-12 | — | — | US | disclosed |
| EP-0563982-A2 | Polycyclic diene derivatives | Chisso Corporation (JP) | 1993-10-06 | — | — | EP | disclosed |