Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMO | O15229 | 1/20 | 0.50 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.50 |
| ▸ | CCR1 | P32246 | 1/20 | 0.46 |
| ▸ | CCR5 | P51681 | 1/20 | 0.46 |
| ▸ | CCR8 | P51685 | 1/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 4/20 | 0.45 |
| ▸ | MEN1 | O00255 | 3/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | HPGD | P15428 | 3/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.45 |
| ▸ | USP2 | O75604 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | KDM1A | O60341 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL14438065 | 0.85 | RAB9A (0.56) | CCR1CCR5CCR8HDAC6MAPT | |
| SCHEMBL7604435 | 0.83 | DYRK1A (0.56) | KMODYRK1AMEN1KMT2AL3MBTL1 | |
| SCHEMBL16385283 | 0.81 | MAPT (0.50) | CCR1CCR5CCR8HDAC6MAPT | |
| SCHEMBL6176031 | 0.80 | IDO1 (0.46) | KMODYRK1AKMT2AHPGDALDH1A1 | |
| SCHEMBL7684064 | 0.79 | PSD (0.48) | KMODYRK1AMAPTMEN1KMT2A | |
| SCHEMBL12075586 | 0.78 | RAB9A (0.57) | CCR1CCR5CCR8HDAC6MAPT | |
| SCHEMBL21290152 | 0.78 | DYRK1A (0.57) | KMODYRK1ACCR1CCR5CCR8 | |
| SCHEMBL27436349 | 0.78 | ALDH1A1 (0.56) | CCR1CCR5CCR8HDAC6MAPT | |
| SCHEMBL30955276 | 0.78 | ALDH1A1 (0.56) | CCR1CCR5CCR8HDAC6MAPT | |
| SCHEMBL23956247 | 0.77 | KMO (0.47) | KMODYRK1AMEN1KMT2AL3MBTL1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3752512-B1 | METAL COMPLEXES | MERCK PATENT GMBH (DE) | 2023-03-01 | — | — | EP | disclosed |
| EP-3601304-B1 | METAL COMPLEXES | MERCK PATENT GMBH (DE) | 2021-10-27 | — | — | EP | disclosed |
| WO-2019158453-A1 | METAL COMPLEXES | MERCK PATENT GMBH (DE) | 2019-08-22 | — | — | WO | disclosed |