Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 2/20 | 0.43 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.43 |
| ▸ | CES2 | O00748 | 2/20 | 0.40 |
| ▸ | CES1 | P23141 | 2/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.38 |
| ▸ | APP | P05067 | 1/20 | 0.37 |
| ▸ | PDE2A | O00408 | 3/20 | 0.36 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.36 |
| ▸ | TACR1 | P25103 | 1/20 | 0.36 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.36 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.36 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.36 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.36 |
| ▸ | PPARG | P37231 | 1/20 | 0.35 |
| ▸ | PPARD | Q03181 | 1/20 | 0.35 |
| ▸ | PPARA | Q07869 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL4431561 | 0.88 | AKR1C3 (0.48) | AKR1C3AKR1C2CES2CES1HDAC4 | |
| SCHEMBL4432335 | 0.88 | CES2 (0.41) | AKR1C3AKR1C2CES2CES1PDE2A | |
| SCHEMBL4440506 | 0.84 | AKR1C3 (0.38) | AKR1C3AKR1C2CNR1ALDH1A1 | |
| SCHEMBL4435426 | 0.84 | CNR1 (0.40) | AKR1C3AKR1C2CES2CES1PDE2A | |
| SCHEMBL4441390 | 0.84 | CNR1 (0.43) | AKR1C3AKR1C2CES2CES1HDAC4 | |
| SCHEMBL4440986 | 0.83 | BRD4 (0.46) | AKR1C3AKR1C2HDAC4APPPPARG | |
| SCHEMBL4433370 | 0.83 | PDE2A (0.40) | AKR1C3AKR1C2HDAC4PDE2ATRPM8 | |
| SCHEMBL4428091 | 0.82 | P2RX7 (0.38) | PPARD | |
| SCHEMBL4441843 | 0.81 | CNR1 (0.43) | AKR1C3AKR1C2CES2CES1APP | |
| SCHEMBL4436353 | 0.81 | AKR1C3 (0.40) | AKR1C3AKR1C2CES2CES1HDAC4 |
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 |