Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 4/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | APP | P05067 | 2/20 | 0.37 |
| ▸ | SPHK1 | Q9NYA1 | 5/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.35 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL9251492 | 0.96 | CYP2C9 (0.40) | CYP2C9ESR2CYP3A4MEN1MAPK1 | |
| SCHEMBL9251474 | 0.95 | SPHK1 (0.40) | CYP2C9ESR2CYP3A4MEN1MAPK1 | |
| SCHEMBL9252920 | 0.95 | SPHK1 (0.40) | CYP2C9ESR2CYP3A4MEN1MAPK1 | |
| SCHEMBL9252916 | 0.95 | SPHK1 (0.40) | CYP2C9ESR2CYP3A4MEN1MAPK1 | |
| SCHEMBL9255003 | 0.92 | CYP2C9 (0.49) | CYP2C9ESR2CYP3A4MEN1MAPK1 | |
| SCHEMBL27081818 | 0.90 | CYP2C9 (0.40) | CYP2C9ESR2CYP3A4MEN1MAPK1 | |
| SCHEMBL11113415 | 0.89 | CYP2C9 (0.44) | CYP2C9ESR2CYP3A4MEN1MAPK1 | |
| SCHEMBL11113421 | 0.89 | CYP2C9 (0.44) | CYP2C9ESR2CYP3A4MEN1MAPK1 | |
| SCHEMBL9260515 | 0.87 | CYP2C9 (0.43) | CYP2C9ESR2CYP3A4MEN1MAPK1 | |
| SCHEMBL9260523 | 0.87 | CYP2C9 (0.43) | CYP2C9ESR2CYP3A4MEN1MAPK1 |
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 |