Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APLNR | P35414 | 1/20 | 0.38 |
| ▸ | FFAR2 | O15552 | 1/20 | 0.36 |
| ▸ | S1PR3 | Q99500 | 8/20 | 0.34 |
| ▸ | S1PR1 | P21453 | 7/20 | 0.34 |
| ▸ | S1PR4 | O95977 | 3/20 | 0.33 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.33 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.33 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.33 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.33 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.33 |
| ▸ | P2RX2 | Q9UBL9 | 1/20 | 0.33 |
| ▸ | AKT1 | P31749 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | MMP13 | P45452 | 1/20 | 0.33 |
| ▸ | AGBL2 | Q5U5Z8 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.32 |
| ▸ | SLC22A12 | Q96S37 | 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 | |
|---|---|---|---|---|
| SCHEMBL4433370 | 0.85 | PDE2A (0.40) | AKR1C3AKR1C2HDAC3HDAC1HDAC2 | |
| SCHEMBL4432457 | 0.84 | NPC1 (0.39) | S1PR3S1PR1AKR1C3AKR1C2AKT1 | |
| SCHEMBL4438585 | 0.82 | S1PR3 (0.42) | S1PR3S1PR1S1PR4S1PR2 | |
| SCHEMBL4433750 | 0.80 | HDAC4 (0.35) | FFAR2AKR1C3AKR1C2AKT1HDAC3 | |
| SCHEMBL4441500 | 0.80 | AKR1C3 (0.34) | S1PR3AKR1C3AKR1C2AKT1MMP13 | |
| SCHEMBL4434008 | 0.76 | AKR1C3 (0.39) | AKR1C3AKR1C2AKT1HDAC3HDAC1 | |
| SCHEMBL4435119 | 0.76 | KCNQ3 (0.41) | S1PR3S1PR1AKR1C3AKR1C2S1PR2 | |
| SCHEMBL4440506 | 0.75 | AKR1C3 (0.38) | AKR1C3AKR1C2 | |
| SCHEMBL4440986 | 0.74 | BRD4 (0.46) | FFAR2S1PR3S1PR1AKR1C3AKR1C2 | |
| SCHEMBL4428091 | 0.74 | P2RX7 (0.38) | NR1I2HDAC3HDAC1HDAC2HDAC6 |
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 |