Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 1/20 | 0.41 |
| ▸ | CTSK | P43235 | 1/20 | 0.41 |
| ▸ | KCNN4 | O15554 | 4/20 | 0.39 |
| ▸ | GUCY1B2 | O75343 | 1/20 | 0.38 |
| ▸ | GUCY1A2 | P33402 | 1/20 | 0.38 |
| ▸ | GUCY1A1 | Q02108 | 1/20 | 0.38 |
| ▸ | GUCY1B1 | Q02153 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | PPARG | P37231 | 1/20 | 0.37 |
| ▸ | NCOA2 | Q15596 | 1/20 | 0.37 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.37 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.37 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4597509 | 0.87 | LMNA (0.40) | LMNARXFP1ALDH1A1NPSR1POLB | |
| SCHEMBL4595970 | 0.85 | CTSL (0.41) | SMN1; SMN2HPGDMAPK1NPC1RAB9A | |
| SCHEMBL24944947 | 0.81 | EPAS1 (0.39) | AAK1 | |
| SCHEMBL5969759 | 0.81 | HDAC3 (0.46) | CTSSCTSKKCNN4TSHRLMNA | |
| SCHEMBL18033976 | 0.80 | GUCY1B2 (0.41) | CTSSCTSKKCNN4GUCY1B2GUCY1A2 | |
| SCHEMBL29548044 | 0.80 | GUCY1B2 (0.41) | CTSSCTSKKCNN4GUCY1B2GUCY1A2 | |
| SCHEMBL6509929 | 0.77 | KCNN4 (0.42) | CTSSCTSKKCNN4TSHRLMNA | |
| SCHEMBL5634375 | 0.77 | CTSS (0.43) | CTSSCTSKKCNN4TSHRLMNA | |
| SCHEMBL4597866 | 0.74 | AAK1 (0.40) | SMN1; SMN2AAK1NPC1RAB9AAKT1 | |
| SCHEMBL6245821 | 0.74 | CTSS (0.41) | CTSSCTSKKCNN4TSHRLMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-2396307-A1 | NOVEL AMINO AZAHETEROCYCLIC CARBOXAMIDES | Merck Patent GmbH (DE) | 2011-12-21 | — | — | EP | disclosed |
| WO-2010093419-A1 | NOVEL AMINO AZAHETEROCYCLIC CARBOXAMIDES | MERCK PATENT GMBH (DE) | 2010-08-19 | — | — | WO | disclosed |