Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 5/20 | 0.55 |
| ▸ | PTPRC | P08575 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | AHR | P35869 | 1/20 | 0.33 |
| ▸ | DHODH | Q02127 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.33 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL22947536 | 0.95 | CYP2A6 (0.50) | CYP2A6PTPRCALDH1A1MEN1KMT2A | |
| SCHEMBL21123265 | 0.81 | PTPRC (0.39) | CYP2A6PTPRCALDH1A1MAPTCYP1A2 | |
| SCHEMBL11984775 | 0.76 | PTPRC (0.40) | CYP2A6PTPRCALDH1A1CYP1A2AHR | |
| SCHEMBL22947450 | 0.74 | CYP2A6 (0.39) | CYP2A6PTPRCALDH1A1MEN1KMT2A | |
| SCHEMBL154221 | 0.73 | CYP2A6 (1.00) | CYP2A6ALDH1A1MEN1KMT2AKDM4E | |
| SCHEMBL29485684 | 0.73 | CYP2A6 (1.00) | CYP2A6ALDH1A1MEN1KMT2AKDM4E | |
| SCHEMBL22947629 | 0.72 | ALDH1A1 (0.39) | PTPRCALDH1A1MEN1KMT2AKDM4E | |
| SCHEMBL11984776 | 0.72 | PTPRC (0.33) | CYP2A6PTPRCAHR | |
| SCHEMBL22947624 | 0.72 | CYP2A6 (0.40) | CYP2A6ALDH1A1MEN1KMT2AKDM4E | |
| SCHEMBL22947360 | 0.72 | CYP2A6 (0.35) | CYP2A6PTPRCALDH1A1MEN1KMT2A |
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.