Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.31 |
| ▸ | TSHR | P16473 | 2/20 | 0.31 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL21110596 | 0.77 | ADRA1A (0.36) | CYP2C19CYP2D6ALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL10023013 | 0.74 | RECQL (0.35) | CYP2C19CYP3A4L3MBTL1 | |
| SCHEMBL14265339 | 0.73 | KDM4E (0.39) | ALDH1A1LMNAKDM4EMAPK1HIF1A | |
| SCHEMBL19136886 | 0.73 | CYP2D6 (0.37) | CYP2C19CYP2D6ALDH1A1LMNAKDM4E | |
| SCHEMBL10325567 | 0.72 | — | — | |
| SCHEMBL10071535 | 0.71 | APLNR (0.44) | ALDH1A1LMNAKDM4EKMT2ATSHR | |
| SCHEMBL16057166 | 0.71 | ALDH1A1 (0.40) | ALDH1A1SMN1; SMN2KMT2A | |
| SCHEMBL957404 | 0.71 | — | — | |
| SCHEMBL6211387 | 0.71 | — | — | |
| SCHEMBL21012046 | 0.70 | MCL1 (0.44) | CYP2C19CYP2D6ALDH1A1HPGDSMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-102574838-B | Pyrrole and [2,3-C] pyridine derivative using as P38 kinase inhibiting agents | MERCK SHARP & DOHME | 2014-07-02 | — | — | CN | disclosed |
| CN-102574838-A | Pyrrole and [2,3-C] pyridine derivative using as P38 kinase inhibiting agents | MERCK SHARP & DOHME | 2012-07-11 | — | — | CN | disclosed |
| EP-1296938-A1 | CYCLOPENTYL-SUBSTITUTED GLUTARAMIDE DERIVATIVES AS INHIBITORS OF NEUTRAL ENDOPEPTIDASE | Pfizer Limited (GB) | 2003-04-02 | — | — | EP | disclosed |
| WO-2002002513-A1 | CYCLOPENTYL-SUBSTITUTED GLUTARAMIDE DERIVATIVES AS INHIBITORS OF NEUTRAL ENDOPEPTIDASE | PFIZER LIMITED (GB) | 2002-01-10 | — | — | WO | disclosed |