Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.45 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 2/20 | 0.42 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.42 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.41 |
| ▸ | BACE1 | P56817 | 1/20 | 0.41 |
| ▸ | JAK2 | O60674 | 1/20 | 0.40 |
| ▸ | JAK1 | P23458 | 1/20 | 0.40 |
| ▸ | TYK2 | P29597 | 1/20 | 0.40 |
| ▸ | JAK3 | P52333 | 1/20 | 0.40 |
| ▸ | AR | P10275 | 1/20 | 0.39 |
| ▸ | PGR | P06401 | 2/20 | 0.38 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.38 |
| ▸ | FEN1 | P39748 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL22947477 | 0.82 | CYP2A6 (0.43) | CYP2A6TRPA1MAOBPDK2TNKS2 | |
| SCHEMBL22947542 | 0.82 | CYP1A2 (0.43) | MAOBPDK2ALDH1A1LMNACYP1A2 | |
| SCHEMBL22947689 | 0.78 | CYP2A6 (0.46) | CYP2A6TRPA1MAOBPDK2TNKS2 | |
| SCHEMBL25828524 | 0.78 | S100A4 (0.40) | MAOBALDH1A1TSHRMAPK1 | |
| SCHEMBL24123383 | 0.77 | S100A4 (0.44) | CYP2A6PDK2ALDH1A1MAPK1HSD17B10 | |
| SCHEMBL22947482 | 0.77 | TNKS2 (0.38) | CYP2A6TRPA1MAOBPDK2TNKS2 | |
| SCHEMBL27392401 | 0.76 | ERN1 (0.33) | PDK2ERN1 | |
| SCHEMBL13712181 | 0.73 | GPR3 (0.55) | USP2ALDH1A1LMNACYP1A2MAPK1 | |
| SCHEMBL22947692 | 0.72 | L3MBTL1 (0.44) | ALDH1A1LMNATSHRCYP2C19HSD17B10 | |
| SCHEMBL22949183 | 0.72 | L3MBTL1 (0.41) | ALDH1A1LMNATSHRMAPK1CYP2C19 |
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 | CYP2A6 1117/4885TRPA1 57/4885MAOB 2434/4885 |
“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.