Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | PRMT6 | Q96LA8 | 3/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | NOS3 | P29474 | 1/20 | 0.32 |
| ▸ | NOS1 | P29475 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.32 |
| ▸ | IFNAR1 | P17181 | 1/20 | 0.32 |
| ▸ | EPHX2 | P34913 | 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 | |
|---|---|---|---|---|
| SCHEMBL523614 | 0.84 | NPSR1 (0.54) | NPSR1CXCR4KDM4ECYP3A4MAPT | |
| SCHEMBL7333040 | 0.77 | CXCR4 (0.52) | NPSR1CXCR4KDM4ECYP3A4MAPT | |
| SCHEMBL29791992 | 0.77 | SMN1; SMN2 (0.53) | NPSR1CXCR4CYP3A4SMN1; SMN2NOS3 | |
| SCHEMBL2476858 | 0.77 | SMN1; SMN2 (0.53) | NPSR1CXCR4CYP3A4SMN1; SMN2NOS3 | |
| SCHEMBL8283908 | 0.76 | — | — | |
| SCHEMBL7788876 | 0.75 | NOS3 (0.45) | NPSR1CXCR4NOS3NOS1 | |
| SCHEMBL2679367 | 0.75 | KDM1A (0.47) | NPSR1CXCR4KDM4ECYP3A4MAPT | |
| SCHEMBL8986161 | 0.75 | NPSR1 (0.46) | NPSR1CXCR4KDM4ECYP3A4MAPT | |
| SCHEMBL31330291 | 0.75 | KDM1A (0.47) | NPSR1CXCR4KDM4ECYP3A4MAPT | |
| SCHEMBL12536038 | 0.75 | NPSR1 (0.41) | NPSR1CXCR4KDM4ECYP3A4MAPT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2166846-B1 | INHIBITORS OF JANUS KINASES | MERCK SHARP & DOHME (US) | 2012-10-17 | — | — | EP | disclosed |