Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PGK1 | P00558 | 1/20 | 0.53 |
| ▸ | PGK2 | P07205 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | MBOAT4 | Q96T53 | 1/20 | 0.36 |
| ▸ | GRM5 | P41594 | 1/20 | 0.36 |
| ▸ | FAAH | O00519 | 1/20 | 0.35 |
| ▸ | PARP1 | P09874 | 1/20 | 0.35 |
| ▸ | KDM1A | O60341 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.33 |
| ▸ | HTR7 | P34969 | 2/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | ACP3 | P15309 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4542167 | 0.85 | PGK1 (0.74) | PGK1PGK2ALDH1A1HPGDFAAH | |
| SCHEMBL3510122 | 0.83 | PGK1 (0.50) | PGK1PGK2ALDH1A1HPGDMBOAT4 | |
| SCHEMBL3510117 | 0.79 | PGK1 (0.42) | PGK1PGK2ALDH1A1HPGDMBOAT4 | |
| SCHEMBL26972709 | 0.77 | PGK1 (0.40) | PGK1PGK2HPGDMBOAT4GRM5 | |
| SCHEMBL13640312 | 0.75 | PGK1 (0.41) | PGK1PGK2HPGDMBOAT4GRM5 | |
| SCHEMBL30669248 | 0.75 | PGK1 (0.41) | PGK1PGK2HPGDMBOAT4GRM5 | |
| SCHEMBL17489001 | 0.75 | PGK1 (0.53) | PGK1PGK2NPSR1ACP3 | |
| SCHEMBL31715510 | 0.70 | NPSR1 (0.43) | PGK1PGK2ALDH1A1HPGDMBOAT4 | |
| SCHEMBL6564804 | 0.70 | NPSR1 (0.43) | PGK1PGK2ALDH1A1HPGDMBOAT4 | |
| SCHEMBL105003 | 0.70 | — | — |
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-2166846-B1 | INHIBITORS OF JANUS KINASES | MERCK SHARP & DOHME (US) | 2012-10-17 | — | — | EP | disclosed |
| EP-2166846-A1 | INHIBITORS OF JANUS KINASES | Merck Sharp & Dohme Corp. (US) | 2010-03-31 | — | — | EP | disclosed |
| WO-2008156726-A1 | INHIBITORS OF JANUS KINASES | MERCK & CO., INC. (US) | 2008-12-24 | — | — | WO | disclosed |