Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.40 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.40 |
| ▸ | ABL1 | P00519 | 3/20 | 0.37 |
| ▸ | JAK2 | O60674 | 1/20 | 0.36 |
| ▸ | JAK1 | P23458 | 1/20 | 0.36 |
| ▸ | TYK2 | P29597 | 1/20 | 0.36 |
| ▸ | JAK3 | P52333 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.36 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.35 |
| ▸ | PTGES | O14684 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 2/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.34 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.33 |
| ▸ | FEN1 | P39748 | 1/20 | 0.33 |
| ▸ | PGR | P06401 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL22947624 | 0.86 | CYP2A6 (0.40) | CYP2A6GSTP1ESR1ESR2PDK2 | |
| SCHEMBL22947689 | 0.84 | CYP2A6 (0.46) | BACE1TRPA1JAK2JAK1TYK2 | |
| SCHEMBL22947482 | 0.82 | TNKS2 (0.38) | BACE1TRPA1JAK2JAK1TYK2 | |
| SCHEMBL22949027 | 0.80 | MEN1 (0.41) | GSTP1KDM4EALDH1A1GLA | |
| SCHEMBL22949612 | 0.79 | MEN1 (0.39) | GSTP1HDAC4HDAC2HDAC8KDM4E | |
| SCHEMBL22947708 | 0.79 | CYP1A2 (0.41) | BACE1TRPA1JAK2JAK1TYK2 | |
| SCHEMBL22949681 | 0.78 | MEN1 (0.40) | ESR1ESR2HDAC2KDM4EALDH1A1 | |
| SCHEMBL22949326 | 0.78 | MEN1 (0.40) | ESR1ESR2HDAC2KDM4EALDH1A1 | |
| SCHEMBL22949537 | 0.78 | MEN1 (0.40) | GSTP1ESR1ESR2KDM4EALDH1A1 | |
| SCHEMBL22947536 | 0.78 | CYP2A6 (0.50) | CYP2A6PDK2KDM4EALDH1A1 |
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-20210036245-A1 | HETEROAROMATIC COMPOUNDS | MERCK PATENT GMBH (DE) | 2021-02-04 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20210036245-A1 | HETEROAROMATIC COMPOUNDS | ETV6, FES, LEF1 | BACE1 2983/4885TRPA1 57/4885ABL1 307/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.