Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 5/20 | 0.41 |
| ▸ | TDO2 | P48775 | 1/20 | 0.37 |
| ▸ | CYP11B1 | P15538 | 6/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 6/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.33 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.33 |
| ▸ | GRM5 | P41594 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL23487551 | 0.81 | CYP2A6 (0.36) | CYP2A6CYP11B1CYP11B2 | |
| SCHEMBL23487641 | 0.79 | CYP2A6 (0.45) | CYP2A6TDO2CYP11B1CYP11B2PTGS2 | |
| SCHEMBL23487553 | 0.78 | CYP11B1 (0.46) | CYP2A6CYP11B1CYP11B2PTGS2CYP3A4 | |
| SCHEMBL13778315 | 0.75 | CYP2A6 (0.47) | CYP2A6TDO2PTGS2 | |
| SCHEMBL12104804 | 0.74 | CYP2A6 (0.55) | CYP2A6TDO2CYP11B1CYP11B2CYP3A4 | |
| SCHEMBL28769555 | 0.74 | CYP2A6 (0.41) | CYP2A6TDO2CYP11B1CYP11B2PTGS2 | |
| SCHEMBL23487530 | 0.73 | LPL (0.42) | CYP2A6TDO2S1PR1S1PR3 | |
| SCHEMBL13778292 | 0.71 | CYP11B1 (0.51) | CYP2A6TDO2CYP11B1CYP11B2 | |
| SCHEMBL4446246 | 0.71 | CYP2A6 (0.47) | CYP2A6TDO2CYP11B1CYP11B2CYP3A4 | |
| SCHEMBL31503936 | 0.69 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230056324-A1 | METAL COMPLEXES | MERCK PATENT GMBH (DE) | 2023-02-23 | — | — | US | disclosed |
| WO-2021110720-A1 | METAL COMPLEXES | MERCK PATENT GMBH (DE) | 2021-06-10 | — | — | WO | 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-20230056324-A1 | METAL COMPLEXES | MCU, IMMT, SOD1 | CYP2A6 4118/4885TDO2 1868/4885CYP11B1 1353/4885 |
“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.