Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 2/20 | 0.39 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.35 |
| ▸ | MMP13 | P45452 | 1/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.34 |
| ▸ | CYP3A5 | P20815 | 3/20 | 0.34 |
| ▸ | AKT1 | P31749 | 1/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | PIM1 | P11309 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4440506 | 0.81 | AKR1C3 (0.38) | AKR1C3AKR1C2POLB | |
| SCHEMBL4440986 | 0.80 | BRD4 (0.46) | AKR1C3AKR1C2HDAC4POLB | |
| SCHEMBL4435119 | 0.79 | KCNQ3 (0.41) | AKR1C3AKR1C2HDAC3HDAC1HDAC2 | |
| SCHEMBL4433750 | 0.78 | HDAC4 (0.35) | AKR1C3AKR1C2HDAC4MMP13HDAC3 | |
| SCHEMBL4428091 | 0.77 | P2RX7 (0.38) | HDAC3HDAC1HDAC2HDAC6CYP3A4 | |
| SCHEMBL4432365 | 0.77 | AKR1C3 (0.43) | AKR1C3AKR1C2HDAC4 | |
| SCHEMBL4432457 | 0.76 | NPC1 (0.39) | AKR1C3AKR1C2MMP13HDAC3HDAC1 | |
| SCHEMBL4431484 | 0.76 | APLNR (0.38) | AKR1C3AKR1C2MMP13HDAC3HDAC1 | |
| SCHEMBL4430513 | 0.75 | PTGS2 (0.50) | — | |
| SCHEMBL4427963 | 0.75 | HDAC4 (0.42) | HDAC4HDAC3HDAC6 |
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 |