Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | DGAT1 | O75907 | 6/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | SOAT1 | P35610 | 2/20 | 0.40 |
| ▸ | FAAH | O00519 | 1/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | DGAT2 | Q96PD7 | 1/20 | 0.39 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | STAT1 | P42224 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8726677 | 1.00 | CYP2C9 (0.47) | CYP2C9MAPTALDH1A1LMNADGAT1 | |
| SCHEMBL9256924 | 0.82 | IDO1 (0.56) | CYP2C9MAPTALDH1A1LMNADGAT1 | |
| SCHEMBL9256928 | 0.82 | IDO1 (0.56) | CYP2C9MAPTALDH1A1LMNADGAT1 | |
| SCHEMBL18380615 | 0.82 | CYP2C9 (0.44) | CYP2C9MAPTALDH1A1LMNADGAT1 | |
| SCHEMBL4321926 | 0.80 | SPHK1 (0.50) | CYP2C9ESR2ESR1CYP3A4 | |
| SCHEMBL27738543 | 0.79 | ESR2 (0.44) | CYP2C9MAPTALDH1A1LMNAESR2 | |
| SCHEMBL9346799 | 0.79 | ESR2 (0.44) | CYP2C9MAPTALDH1A1LMNAESR2 | |
| Carbamic Acid SCHEMBL10603837 | 0.77 | CYP2C9 (0.69) | CYP2C9MAPTALDH1A1LMNADGAT1 | |
| SCHEMBL27263138 | 0.77 | NPC1 (0.60) | CYP2C9MAPTALDH1A1LMNADGAT1 | |
| SCHEMBL16203060 | 0.76 | FFAR4 (0.40) | CYP2C9MAPTALDH1A1LMNAESR2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0820983-A1 | ACRYLONITRILE DERIVATIVES, LIQUID-CRYSTAL COMPOSITION, AND LIQUID-CRYSTAL DISPLAY DEVICE | CHISSO CORPORATION (JP) | 1998-01-28 | — | — | EP | disclosed |