Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 4/20 | 0.45 |
| ▸ | AKR1C2 | P52895 | 4/20 | 0.45 |
| ▸ | CCR3 | P51677 | 1/20 | 0.42 |
| ▸ | BACE1 | P56817 | 1/20 | 0.41 |
| ▸ | CASR | P41180 | 2/20 | 0.41 |
| ▸ | ACP3 | P15309 | 1/20 | 0.40 |
| ▸ | GPR139 | Q6DWJ6 | 2/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | TACR1 | P25103 | 1/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.38 |
| ▸ | CACNA1A | O00555 | 1/20 | 0.38 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.38 |
| ▸ | CACNB1 | Q02641 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4433334 | 0.82 | HDAC4 (0.52) | AKR1C3AKR1C2ACP3TACR1CES2 | |
| SCHEMBL4436009 | 0.82 | MEN1 (0.43) | ACP3TACR1CES2CES1HTT | |
| SCHEMBL4434012 | 0.81 | TRPM8 (0.42) | L3MBTL1 | |
| SCHEMBL4433967 | 0.81 | ACP3 (0.41) | ACP3TACR1CES2CES1 | |
| SCHEMBL4434628 | 0.80 | AKR1C3 (0.51) | AKR1C3AKR1C2CASR | |
| SCHEMBL2304585 | 0.80 | ACP3 (0.56) | BACE1ACP3TACR1CES2CES1 | |
| SCHEMBL30986733 | 0.79 | TOP2A (0.46) | AKR1C3AKR1C2CCR3BACE1CASR | |
| SCHEMBL6473840 | 0.79 | TOP2A (0.46) | AKR1C3AKR1C2CCR3BACE1CASR | |
| SCHEMBL4430480 | 0.77 | AKR1C3 (0.48) | AKR1C3AKR1C2NPSR1 | |
| SCHEMBL4432351 | 0.75 | AKR1C3 (0.49) | AKR1C3AKR1C2CASRNPSR1L3MBTL1 |
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 |