Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACP3 | P15309 | 1/20 | 0.41 |
| ▸ | KCNJ5 | P48544 | 1/20 | 0.41 |
| ▸ | KCNJ3 | P48549 | 1/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.40 |
| ▸ | CES1 | P23141 | 1/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.39 |
| ▸ | TACR1 | P25103 | 2/20 | 0.39 |
| ▸ | CNR2 | P34972 | 2/20 | 0.39 |
| ▸ | PDE2A | O00408 | 1/20 | 0.39 |
| ▸ | VDR | P11473 | 1/20 | 0.39 |
| ▸ | CNR1 | P21554 | 1/20 | 0.39 |
| ▸ | GHSR | Q92847 | 1/20 | 0.38 |
| ▸ | CTSA | P10619 | 2/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4436009 | 0.84 | MEN1 (0.43) | ACP3CES2CES1TACR1CNR2 | |
| SCHEMBL4433334 | 0.84 | HDAC4 (0.52) | ACP3CES2CES1TACR1CNR2 | |
| SCHEMBL22917198 | 0.82 | ACP3 (0.50) | ACP3HDAC4HDAC3HDAC1HDAC7 | |
| SCHEMBL4432350 | 0.81 | AKR1C3 (0.45) | ACP3CES2CES1TACR1 | |
| SCHEMBL2304585 | 0.81 | ACP3 (0.56) | ACP3CES2CES1TACR1CNR2 | |
| SCHEMBL6564729 | 0.76 | TOP2A (0.48) | ACP3KCNJ5KCNJ3CES2CES1 | |
| SCHEMBL4435426 | 0.75 | CNR1 (0.40) | CES2CES1CNR2PDE2ACNR1 | |
| SCHEMBL4441843 | 0.75 | CNR1 (0.43) | CES2CES1CNR2PDE2ACNR1 | |
| SCHEMBL4441390 | 0.75 | CNR1 (0.43) | CES2CES1TACR1CNR2PDE2A | |
| SCHEMBL4434012 | 0.74 | TRPM8 (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2114867-A1 | AMINOAMIDES AS OREXIN ANTAGONISTS | F. Hoffmann-Roche AG (CH) | 2009-11-11 | — | — | EP | disclosed |
| WO-2008107335-A1 | AMINOAMIDES AS OREXIN ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2008-09-12 | — | — | WO | disclosed |