Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.41 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.39 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.39 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | PDE2A | O00408 | 3/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.36 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.36 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.36 |
| ▸ | UTS2R | Q9UKP6 | 1/20 | 0.36 |
| ▸ | APP | P05067 | 1/20 | 0.35 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.35 |
| ▸ | CNR1 | P21554 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4441486 | 0.83 | NR1I2 (0.40) | HDAC4 | |
| SCHEMBL4433334 | 0.81 | HDAC4 (0.52) | AKR1C3AKR1C2HDAC4CES2CES1 | |
| SCHEMBL4432365 | 0.80 | AKR1C3 (0.43) | AKR1C3AKR1C2HDAC4CES2CES1 | |
| SCHEMBL4431561 | 0.80 | AKR1C3 (0.48) | AKR1C3AKR1C2HDAC4CES2CES1 | |
| SCHEMBL4441390 | 0.76 | CNR1 (0.43) | AKR1C3AKR1C2HDAC4CES2CES1 | |
| SCHEMBL4436009 | 0.75 | MEN1 (0.43) | HDAC4CES2CES1PDE2AHDAC3 | |
| SCHEMBL4432335 | 0.74 | CES2 (0.41) | AKR1C3AKR1C2CES2CES1PDE2A | |
| SCHEMBL4436353 | 0.73 | AKR1C3 (0.40) | AKR1C3AKR1C2HDAC4CES2CES1 | |
| SCHEMBL2304585 | 0.72 | ACP3 (0.56) | CES2CES1 | |
| SCHEMBL4433967 | 0.71 | ACP3 (0.41) | HDAC4CES2CES1PDE2AHDAC3 |
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 |