Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | DRD2 | P14416 | 1/20 | 0.43 |
| ▸ | DRD3 | P35462 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | CLPP | Q16740 | 1/20 | 0.43 |
| ▸ | GPR132 | Q9UNW8 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | GFER | P55789 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 4/20 | 0.39 |
| ▸ | FABP6 | P51161 | 1/20 | 0.38 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 2/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.34 |
| ▸ | CYP11B2 | P19099 | 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 | |
|---|---|---|---|---|
| SCHEMBL17147697 | 0.87 | CYP3A4 (0.52) | CYP3A4SMN1; SMN2HIF1ACYP2D6DRD2 | |
| SCHEMBL11849441 | 0.71 | TSHR (0.58) | CYP3A4SMN1; SMN2HIF1ACYP2D6DRD2 | |
| SCHEMBL22064969 | 0.70 | CYP3A4 (0.53) | CYP3A4SMN1; SMN2HIF1ACYP2D6DRD2 | |
| SCHEMBL22065223 | 0.69 | CYP3A4 (0.79) | CYP3A4SMN1; SMN2HIF1ACYP2D6DRD2 | |
| SCHEMBL11802291 | 0.68 | CYP3A4 (0.53) | CYP3A4SMN1; SMN2HIF1ACYP2D6DRD2 | |
| SCHEMBL22476641 | 0.66 | CLPP (0.79) | CYP3A4SMN1; SMN2HIF1ACYP2D6DRD2 | |
| SCHEMBL11849241 | 0.62 | TSHR (0.72) | CYP3A4SMN1; SMN2HIF1ACYP2D6DRD2 | |
| SCHEMBL17147698 | 0.62 | CYP3A4 (0.66) | CYP3A4SMN1; SMN2HIF1ACYP2D6DRD2 | |
| Hydrochloric Acid SCHEMBL11852627 | 0.61 | TSHR (0.64) | CYP3A4SMN1; SMN2HIF1ACLPPGAA | |
| SCHEMBL18254945 | 0.61 | CLPP (0.85) | CYP3A4SMN1; SMN2HIF1ACYP2D6DRD2 |
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-3662910-A1 | PHARMACOPHORE FOR TRAIL INDUCTION | The Scripps Research Institute (US) | 2020-06-10 | — | — | EP | disclosed |