Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | CES1 | P23141 | 2/20 | 0.42 |
| ▸ | FDPS | P14324 | 5/20 | 0.42 |
| ▸ | MLYCD | O95822 | 1/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.40 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | SRC | P12931 | 1/20 | 0.40 |
| ▸ | GGPS1 | O95749 | 1/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.39 |
| ▸ | DRD3 | P35462 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1728463 | 0.85 | CES1 (0.52) | KMT2ACES1CYP2C19MEN1CYP3A4 | |
| Hydrogen Peroxide SCHEMBL29060971 | 0.85 | CES1 (0.52) | KMT2ACES1CYP2C19MEN1CYP3A4 | |
| SCHEMBL11705126 | 0.84 | SMN1; SMN2 (0.46) | SMN1; SMN2RIPK1 | |
| Hydrochloric Acid SCHEMBL11703195 | 0.83 | SMN1; SMN2 (0.48) | SMN1; SMN2RIPK1 | |
| SCHEMBL28442493 | 0.79 | CES1 (0.47) | KMT2ACES1CYP2C19CYP2D6MEN1 | |
| SCHEMBL1645558 | 0.79 | CES1 (0.47) | KMT2ACES1CYP2C19MEN1CYP3A4 | |
| SCHEMBL9321972 | 0.79 | PPARA (0.47) | CES1SRC | |
| SCHEMBL20545574 | 0.78 | CYP1A2 (0.53) | KMT2ACES1CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL27835153 | 0.78 | SRC (0.46) | KMT2ACES1CYP2C19MEN1CYP3A4 | |
| SCHEMBL11762158 | 0.76 | CES1 (0.44) | KMT2ACES1CYP2C19MEN1CYP3A4 |
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-4061778-A | HYPOLIPIDEMIC | SANDOZ, INC. (US) | 1977-12-06 | — | — | US | disclosed |