Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 4/20 | 0.40 |
| ▸ | AKR1C2 | P52895 | 4/20 | 0.40 |
| ▸ | PDE2A | O00408 | 1/20 | 0.39 |
| ▸ | KCNN4 | O15554 | 3/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.36 |
| ▸ | CES1 | P23141 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 2/20 | 0.36 |
| ▸ | TDO2 | P48775 | 2/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
| ▸ | BACE1 | P56817 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.35 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.35 |
| ▸ | TRPV1 | Q8NER1 | 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 | |
|---|---|---|---|---|
| SCHEMBL4440442 | 0.84 | KCNN4 (0.38) | PDE2AKCNN4TRPM8 | |
| SCHEMBL4431561 | 0.83 | AKR1C3 (0.48) | AKR1C3AKR1C2PDE2ACES2CES1 | |
| SCHEMBL4432365 | 0.81 | AKR1C3 (0.43) | AKR1C3AKR1C2PDE2ACES2CES1 | |
| SCHEMBL4441390 | 0.80 | CNR1 (0.43) | AKR1C3AKR1C2PDE2ACES2CES1 | |
| SCHEMBL4434628 | 0.80 | AKR1C3 (0.51) | AKR1C3AKR1C2PDE2AHPGDCYP2C19 | |
| SCHEMBL4431032 | 0.77 | PDE4A (0.45) | AKR1C3AKR1C2CES2CES1 | |
| SCHEMBL4430480 | 0.76 | AKR1C3 (0.48) | AKR1C3AKR1C2KDM4EALDH1A1HPGD | |
| SCHEMBL4430439 | 0.75 | S1PR3 (0.38) | AKR1C3AKR1C2PDE2AKCNN4TRPM8 | |
| SCHEMBL4438527 | 0.75 | CES2 (0.50) | AKR1C3AKR1C2CES2CES1ALDH1A1 | |
| SCHEMBL4432335 | 0.75 | CES2 (0.41) | AKR1C3AKR1C2PDE2ACES2CES1 |
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 |