Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1D | P25100 | 1/20 | 0.47 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.44 |
| ▸ | OPRM1 | P35372 | 4/20 | 0.43 |
| ▸ | OPRD1 | P41143 | 4/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | PLA2G10 | O15496 | 1/20 | 0.42 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.41 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL31568842 | 0.85 | MAPK14 (0.52) | ADRA1DPLA2G10PLA2G2AGLO1 | |
| SCHEMBL19746198 | 0.85 | MCHR1 (0.43) | ADRA1DMCHR1HDAC6KMT2AL3MBTL1 | |
| SCHEMBL19746200 | 0.85 | MCHR1 (0.43) | ADRA1DMCHR1HDAC6KMT2AL3MBTL1 | |
| SCHEMBL19746259 | 0.82 | KDM4E (0.60) | MCHR1OPRM1L3MBTL1KDM4E | |
| SCHEMBL12094977 | 0.80 | KDM4E (0.40) | KDM4E | |
| SCHEMBL19746202 | 0.79 | MCHR1 (0.43) | MCHR1HDAC6L3MBTL1KDM4EHDAC3 | |
| SCHEMBL2688930 | 0.78 | NPC1 (0.45) | KDM4E | |
| SCHEMBL19747084 | 0.75 | CNOT7 (0.48) | ADRA1DHDAC6KMT2AMEN1HDAC1 | |
| SCHEMBL4152681 | 0.74 | PLA2G10 (0.46) | ADRA1DOPRM1OPRD1KMT2AOPRK1 | |
| SCHEMBL1366681 | 0.73 | MCHR1 (0.48) | MCHR1HDAC6KMT2AL3MBTL1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017222952-A1 | 3- HETEROARYL SUBSTITUTED 5-TRIFLUOROMETHYL OXADIAZOLES AS HISTONE DEACETYLASE 6 (HDAC6) INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2017-12-28 | — | — | WO | disclosed |