Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | PTPRC | P08575 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | HPGD | P15428 | 3/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.34 |
| ▸ | CA2 | P00918 | 2/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA4 | P22748 | 1/20 | 0.34 |
| ▸ | CA6 | P23280 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL22947450 | 0.97 | CYP2A6 (0.39) | CYP2A6PTPRCALDH1A1HPGDCYP1A2 | |
| SCHEMBL22947648 | 0.91 | KMT2A (0.33) | CYP2A6PTPRCALDH1A1HPGDCYP1A2 | |
| SCHEMBL22947360 | 0.88 | CYP2A6 (0.35) | CYP2A6PTPRCALDH1A1HPGDCYP1A2 | |
| SCHEMBL22947536 | 0.77 | CYP2A6 (0.50) | CYP2A6PTPRCALDH1A1HPGDCYP1A2 | |
| SCHEMBL11984775 | 0.76 | PTPRC (0.40) | CYP2A6PTPRCALDH1A1CYP1A2CA2 | |
| SCHEMBL22947487 | 0.76 | CYP1A2 (0.40) | CYP2A6ALDH1A1CYP1A2CA2CA1 | |
| SCHEMBL22947708 | 0.76 | CYP1A2 (0.41) | CYP2A6ALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL21310577 | 0.75 | ALDH1A1 (0.33) | CYP2A6ALDH1A1HPGDCYP1A2NPSR1 | |
| SCHEMBL22928723 | 0.75 | PTPRC (0.45) | CYP2A6PTPRCCYP1A2CA2SMN1; SMN2 | |
| SCHEMBL22949668 | 0.75 | MAPT (0.41) | ALDH1A1HPGDCYP1A2CA2CA1 |
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 1117/4885PTPRC 3228/4885ALDH1A1 752/4885 |
“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.