Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.40 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | KDM1A | O60341 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HTR2B | P41595 | 1/20 | 0.36 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.36 |
| ▸ | TP53BP1 | Q12888 | 1/20 | 0.35 |
| ▸ | L3MBTL3 | Q96JM7 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | CPB1 | P15086 | 1/20 | 0.35 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.34 |
| ▸ | MGLL | Q99685 | 3/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL16453477 | 0.81 | TSHR (0.47) | ALDH1A1KDM4EMAPTKMT2AMEN1 | |
| SCHEMBL17878207 | 0.81 | NPSR1 (0.41) | KMT2AMEN1TSHR | |
| SCHEMBL19652346 | 0.79 | NPSR1 (0.38) | KMT2AMEN1TSHRRAB9A | |
| SCHEMBL17724395 | 0.76 | NPSR1 (0.56) | ALDH1A1KDM4EMAPTKMT2AMEN1 | |
| SCHEMBL12025040 | 0.75 | RXFP1 (0.46) | PARP1ALDH1A1KDM4EMAPTKMT2A | |
| SCHEMBL19903078 | 0.73 | LMNA (0.38) | ALDH1A1MAPTKMT2ATSHRL3MBTL1 | |
| SCHEMBL22877134 | 0.73 | KDM4E (0.45) | ALDH1A1KDM4EMAPTKMT2AMEN1 | |
| SCHEMBL17856075 | 0.72 | HSD11B1 (0.54) | PARP1PARP2ALDH1A1KDM1AMAOA | |
| SCHEMBL17863848 | 0.72 | NPSR1 (0.40) | KMT2AMEN1TSHR | |
| SCHEMBL20976806 | 0.72 | HCRTR1 (0.61) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016095204-A1 | PYRROLIDINE OREXIN RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2016-06-23 | — | — | WO | disclosed |
| WO-2016100154-A1 | PYRROLIDINE OREXIN RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2016-06-23 | — | — | WO | disclosed |