Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | ACHE | P22303 | 2/20 | 0.32 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.32 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.32 |
| ▸ | ESPL1 | Q14674 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | KDM1A | O60341 | 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 | |
|---|---|---|---|---|
| SCHEMBL29499930 | 0.80 | ALDH1A1 (0.40) | NPSR1KMT2AMEN1MAPTLMNA | |
| SCHEMBL29499931 | 0.80 | ALDH1A1 (0.40) | NPSR1KMT2AMEN1MAPTLMNA | |
| SCHEMBL3935759 | 0.74 | NPSR1 (0.36) | NPSR1KMT2AMEN1MAPTGAA | |
| SCHEMBL28072749 | 0.67 | ALDH1A1 (0.41) | NPSR1KMT2AMEN1LMNAALDH1A1 | |
| SCHEMBL2999927 | 0.66 | PDK2 (0.37) | KMT2AALDH1A1PDK2PDK4 | |
| SCHEMBL5403647 | 0.66 | HTR2A (0.37) | PDK2PDK4 | |
| SCHEMBL5403636 | 0.66 | HTR2A (0.37) | PDK2PDK4 | |
| SCHEMBL6435749 | 0.66 | HTR2A (0.37) | PDK2PDK4 | |
| SCHEMBL5403641 | 0.66 | HTR2A (0.37) | PDK2PDK4 | |
| SCHEMBL24701906 | 0.64 | HTR2A (0.35) | KMT2AMEN1HSD17B10MAPK1CYP2C19 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2906575-A1 | METAL COMPLEXES | Merck Patent GmbH (DE) | 2015-08-19 | — | — | EP | disclosed |
| EP-2872590-A1 | METAL COMPLEXES | Merck Patent GmbH (DE) | 2015-05-20 | — | — | EP | disclosed |
| WO-2014056564-A1 | METAL COMPLEXES | MERCK PATENT GMBH (DE) | 2014-04-17 | — | — | WO | disclosed |
| WO-2014008982-A1 | METAL COMPLEXES | MERCK PATENT GMBH (DE) | 2014-01-16 | — | — | WO | disclosed |