Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.44 |
| ▸ | TDO2 | P48775 | 1/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.36 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.36 |
| ▸ | SHMT1 | P34896 | 1/20 | 0.36 |
| ▸ | CYP11B1 | P15538 | 4/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 4/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.35 |
| ▸ | ALPL | P05186 | 1/20 | 0.35 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.34 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | METAP2 | P50579 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL23487648 | 0.82 | CNR1 (0.48) | PDK2CYP11B1CYP11B2METAP2 | |
| SCHEMBL13778315 | 0.82 | CYP2A6 (0.47) | CYP2A6PTGS2TDO2HSD11B1POLB | |
| SCHEMBL23487550 | 0.79 | CYP2A6 (0.41) | CYP2A6PTGS2TDO2CYP11B1CYP11B2 | |
| SCHEMBL23487647 | 0.79 | CNR1 (0.39) | PDK2SHMT1HSD11B1ALPLMETAP2 | |
| SCHEMBL12104804 | 0.78 | CYP2A6 (0.55) | CYP2A6TDO2CYP11B1CYP11B2ALPL | |
| SCHEMBL28330013 | 0.76 | CYP11B2 (0.46) | CYP2A6PTGS2TDO2CYP11B2 | |
| SCHEMBL23487546 | 0.75 | SHMT1 (0.41) | CYP2A6PDK2SHMT1METAP2 | |
| SCHEMBL4446246 | 0.75 | CYP2A6 (0.47) | CYP2A6TDO2CYP11B1CYP11B2KMT2A | |
| SCHEMBL2615987 | 0.75 | GRIN1 (0.48) | CYP2A6CYP11B1CYP11B2ALPL | |
| SCHEMBL13778292 | 0.75 | CYP11B1 (0.51) | CYP2A6TDO2CYP11B1CYP11B2KMT2A |
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 4118/4885PTGS2 4012/4885TDO2 1868/4885 |
“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.