Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | BACE1 | P56817 | 1/20 | 0.44 |
| ▸ | METAP2 | P50579 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | ABL1 | P00519 | 1/20 | 0.41 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.41 |
| ▸ | BCR | P11274 | 1/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | PTPRC | P08575 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | CNR1 | P21554 | 1/20 | 0.41 |
| ▸ | CNR2 | P34972 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL31720941 | 0.93 | CYP1A2 (0.52) | CYP2A6CYP1A2BACE1METAP2ALDH1A1 | |
| SCHEMBL31369120 | 0.86 | LMNA (0.44) | CYP2A6CYP1A2METAP2ALDH1A1HPGD | |
| SCHEMBL26204709 | 0.85 | CYP2A6 (0.45) | CYP2A6CYP1A2BACE1METAP2ALDH1A1 | |
| SCHEMBL5050877 | 0.83 | CYP2A6 (0.52) | CYP2A6CYP1A2TSHRSMN1; SMN2NPC1 | |
| SCHEMBL20007057 | 0.82 | PTGS2 (0.47) | ALDH1A1ABL1ABCB1BCRPTGS2 | |
| SCHEMBL19533270 | 0.82 | CYP1A2 (0.44) | CYP2A6CYP1A2BACE1METAP2ALDH1A1 | |
| SCHEMBL23487648 | 0.82 | CNR1 (0.48) | CYP1A2METAP2CNR1 | |
| SCHEMBL24780597 | 0.81 | CYP1A2 (0.60) | CYP2A6CYP1A2ALDH1A1HPGDTSHR | |
| SCHEMBL1959308 | 0.81 | CYP1A2 (0.60) | CYP2A6CYP1A2ALDH1A1HPGDTSHR | |
| SCHEMBL20081661 | 0.81 | CYP1A2 (0.60) | CYP2A6CYP1A2ALDH1A1HPGDTSHR |
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 4118/4885CYP1A2 2830/4885BACE1 3559/4885 |
“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.