Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | PAOX | Q6QHF9 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | ARG1 | P05089 | 1/20 | 0.33 |
| ▸ | ARG2 | P78540 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| Formic Acid SCHEMBL8568903 | 0.95 | CYP1A2 (0.50) | CYP1A2CYP2C9HPGDMAPK1HIF1A | |
| Diethylaminoethanol SCHEMBL28921698 | 0.87 | CYP1A2 (0.43) | CYP1A2CYP2C9HPGDMAPK1HIF1A | |
| Diethylaminoethanol SCHEMBL10699915 | 0.86 | — | — | |
| Diethylaminoethanol SCHEMBL3114 | 0.86 | — | — | |
| Trolamine SCHEMBL2157541 | 0.83 | MAPT (0.39) | CYP1A2CYP2C9HPGDMAPK1HIF1A | |
| Diethylaminoethanol SCHEMBL3848943 | 0.83 | — | — | |
| Diethylaminoethanol SCHEMBL20815437 | 0.83 | — | — | |
| Trolamine SCHEMBL22749413 | 0.83 | CYP1A2 (0.52) | CYP1A2CYP2C9HPGDMAPK1HIF1A | |
| Diethylaminoethanol SCHEMBL3296548 | 0.83 | — | — | |
| Diethylaminoethanol SCHEMBL20293885 | 0.83 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20080221361-A1 | Ionic Liquids | BIONIQS LIMITED (GB) | 2008-09-11 | — | — | US | disclosed |