Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 3/20 | 0.51 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.51 |
| ▸ | CMA1 | P23946 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | NQO2 | P16083 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | CES2 | O00748 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | SOS1 | Q07889 | 2/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | KRAS | P01116 | 1/20 | 0.42 |
| ▸ | SCD | O00767 | 1/20 | 0.41 |
| ▸ | RXFP1 | Q9HBX9 | 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 | |
|---|---|---|---|---|
| SCHEMBL4434628 | 0.88 | AKR1C3 (0.51) | AKR1C3AKR1C2MAPT | |
| SCHEMBL4438527 | 0.83 | CES2 (0.50) | AKR1C3AKR1C2SMN1; SMN2POLBCES2 | |
| SCHEMBL11103452 | 0.82 | ACP3 (0.55) | SMN1; SMN2POLBCES2MAPTHTT | |
| SCHEMBL16973606 | 0.82 | TDP1 (0.51) | SMN1; SMN2LMNATDP1POLBMAPT | |
| SCHEMBL8295353 | 0.81 | NR1H4 (0.45) | SMN1; SMN2LMNAKDM4ETDP1NPSR1 | |
| SCHEMBL4432351 | 0.80 | AKR1C3 (0.49) | AKR1C3AKR1C2SMN1; SMN2MAPTNPSR1 | |
| SCHEMBL4436028 | 0.80 | AKR1C3 (0.49) | AKR1C3AKR1C2NPSR1 | |
| SCHEMBL4430282 | 0.77 | PDE10A (0.46) | AKR1C3AKR1C2LMNANPSR1 | |
| SCHEMBL4430480 | 0.76 | AKR1C3 (0.48) | AKR1C3AKR1C2LMNAKDM4EMAPT | |
| SCHEMBL4432347 | 0.76 | ALDH1A1 (0.50) | LMNAKDM4EPOLBMAPTHTT |
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 |