Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.51 |
| ▸ | CYP11B1 | P15538 | 5/20 | 0.49 |
| ▸ | CYP11B2 | P19099 | 4/20 | 0.49 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.49 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.47 |
| ▸ | KMO | O15229 | 1/20 | 0.47 |
| ▸ | MKNK1 | Q9BUB5 | 3/20 | 0.47 |
| ▸ | MKNK2 | Q9HBH9 | 3/20 | 0.47 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.47 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL21742825 | 0.85 | PTGS2 (0.54) | CYP2A6CYP3A4ALDH1A1CYP1A2CYP19A1 | |
| SCHEMBL13785074 | 0.81 | CYP2A6 (0.58) | CYP2A6CYP3A4ALDH1A1CYP1A2CYP19A1 | |
| SCHEMBL21742636 | 0.81 | CYP11B1 (0.54) | CYP2A6CYP3A4ALDH1A1CYP1A2CYP19A1 | |
| SCHEMBL21742831 | 0.79 | CYP11B1 (0.53) | CYP2A6CYP3A4ALDH1A1CYP1A2CYP19A1 | |
| SCHEMBL19533217 | 0.79 | CYP11B1 (0.56) | CYP2A6CYP3A4ALDH1A1CYP1A2CYP19A1 | |
| SCHEMBL21742649 | 0.79 | CYP11B1 (0.54) | CYP2A6CYP3A4ALDH1A1CYP1A2CYP19A1 | |
| SCHEMBL25871388 | 0.79 | CYP11B1 (0.54) | CYP2A6CYP3A4ALDH1A1CYP1A2CYP19A1 | |
| SCHEMBL12068186 | 0.78 | CYP2A6 (0.71) | CYP2A6CYP3A4ALDH1A1CYP1A2CYP19A1 | |
| SCHEMBL4621666 | 0.78 | CYP2A6 (0.64) | CYP2A6CYP3A4ALDH1A1CYP1A2CYP19A1 | |
| SCHEMBL31017586 | 0.78 | CYP2A6 (0.64) | CYP2A6CYP3A4ALDH1A1CYP1A2CYP19A1 |
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-20200055822-A1 | MATERIALS FOR ORGANIC ELECTRONIC DEVICES | MERCK PATENT GMBH (DE) | 2020-02-20 | — | — | 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-20200055822-A1 | MATERIALS FOR ORGANIC ELECTRONIC DEVICES | PNMT, DDT, TYR | CYP2A6 211/4885CYP3A4 38/4885ALDH1A1 323/4885 |
“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.