Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 3/20 | 0.51 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | PPARA | Q07869 | 4/20 | 0.44 |
| ▸ | PPARD | Q03181 | 3/20 | 0.44 |
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | PDE2A | O00408 | 2/20 | 0.43 |
| ▸ | MMP1 | P03956 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | CASR | P41180 | 2/20 | 0.41 |
| ▸ | PPARG | P37231 | 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 | |
|---|---|---|---|---|
| SCHEMBL4436028 | 0.91 | AKR1C3 (0.49) | AKR1C3AKR1C2MEN1ALOX15MAPK1 | |
| SCHEMBL4432351 | 0.91 | AKR1C3 (0.49) | AKR1C3AKR1C2MEN1ALOX15MAPK1 | |
| SCHEMBL4432979 | 0.88 | AKR1C3 (0.51) | AKR1C3AKR1C2MAPT | |
| SCHEMBL4430480 | 0.88 | AKR1C3 (0.48) | AKR1C3AKR1C2MEN1KMT2AMAPT | |
| SCHEMBL4431032 | 0.83 | PDE4A (0.45) | AKR1C3AKR1C2MEN1KMT2AMAPT | |
| SCHEMBL4430282 | 0.83 | PDE10A (0.46) | AKR1C3AKR1C2MEN1ALOX15MAPK1 | |
| SCHEMBL16973606 | 0.82 | TDP1 (0.51) | MEN1KMT2AACHEMAPT | |
| SCHEMBL4432347 | 0.82 | ALDH1A1 (0.50) | KMT2APPARAPPARDACHEMAPT | |
| SCHEMBL4432350 | 0.80 | AKR1C3 (0.45) | AKR1C3AKR1C2CASR | |
| SCHEMBL4436353 | 0.80 | AKR1C3 (0.40) | AKR1C3AKR1C2PDE2ACYP2C19HPGD |
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 |