Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 4/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | SPHK1 | Q9NYA1 | 6/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | APP | P05067 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.34 |
| ▸ | SOAT1 | P35610 | 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 | |
|---|---|---|---|---|
| SCHEMBL9252916 | 0.99 | SPHK1 (0.40) | CYP2C9ESR2CYP3A4MAPTMEN1 | |
| SCHEMBL9251474 | 0.99 | SPHK1 (0.40) | CYP2C9ESR2CYP3A4MAPTMEN1 | |
| SCHEMBL9252920 | 0.99 | SPHK1 (0.40) | CYP2C9ESR2CYP3A4MAPTMEN1 | |
| SCHEMBL9250319 | 0.96 | CYP2C9 (0.41) | CYP2C9ESR2CYP3A4MAPTMEN1 | |
| SCHEMBL9255003 | 0.91 | CYP2C9 (0.49) | CYP2C9ESR2CYP3A4MAPTMEN1 | |
| SCHEMBL7672125 | 0.90 | CYP2C9 (0.40) | CYP2C9ESR2CYP3A4MAPTMEN1 | |
| SCHEMBL7667786 | 0.90 | CYP2C9 (0.40) | CYP2C9ESR2CYP3A4MAPTMEN1 | |
| SCHEMBL7672120 | 0.90 | CYP2C9 (0.40) | CYP2C9ESR2CYP3A4MAPTMEN1 | |
| SCHEMBL7667791 | 0.90 | CYP2C9 (0.40) | CYP2C9ESR2CYP3A4MAPTMEN1 | |
| SCHEMBL8831427 | 0.90 | CYP3A4 (0.44) | CYP2C9ESR2CYP3A4MAPTMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1995009828-A1 | 2,4,5-TRIFLUOROBENZENES AND THEIR USE IN LIQUID CRYSTAL MIXTURES | MERCK PATENT GMBH (DE) | 1995-04-13 | — | — | WO | disclosed |