Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 3/20 | 0.35 |
| ▸ | SPHK1 | Q9NYA1 | 3/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 7/20 | 0.33 |
| ▸ | ESR1 | P03372 | 6/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.30 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8834906 | 0.96 | CYP2C9 (0.38) | CYP2C9SPHK1ESR2ESR1CYP3A4 | |
| SCHEMBL8835504 | 0.90 | SPHK1 (0.40) | CYP2C9SPHK1ALDH1A1LMNAMAPT | |
| SCHEMBL8835121 | 0.87 | CYP2C9 (0.39) | CYP2C9SPHK1ESR2ESR1CYP3A4 | |
| SCHEMBL8835582 | 0.86 | SPHK1 (0.52) | SPHK1NPC1RAB9A | |
| SCHEMBL9477717 | 0.83 | SPHK1 (0.35) | CYP2C9SPHK1ESR2ESR1CYP3A4 | |
| SCHEMBL8835367 | 0.83 | ESR2 (0.34) | CYP2C9ESR2ESR1CYP3A4DGAT1 | |
| SCHEMBL9477698 | 0.83 | SPHK1 (0.35) | CYP2C9SPHK1ESR2ESR1CYP3A4 | |
| SCHEMBL9477687 | 0.83 | SPHK1 (0.35) | CYP2C9SPHK1ESR2ESR1CYP3A4 | |
| SCHEMBL9477708 | 0.83 | SPHK1 (0.35) | CYP2C9SPHK1ESR2ESR1CYP3A4 | |
| SCHEMBL8451655 | 0.82 | SPHK1 (0.34) | CYP2C9SPHK1ESR2ESR1CYP3A4 |
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 |