Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIM1 | P11309 | 1/20 | 0.35 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.33 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.32 |
| ▸ | NAMPT | P43490 | 1/20 | 0.32 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.32 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL3735792 | 0.78 | NTSR1 (0.50) | NTSR1NAMPTRAB9AKMT2A | |
| SCHEMBL3737701 | 0.68 | PIM1 (0.44) | PIM1GRIN2BNAMPTGRIN1ALDH1A1 | |
| SCHEMBL4355959 | 0.63 | SMN1; SMN2 (0.53) | PIM1CES2CES1HDAC1HDAC6 | |
| SCHEMBL5111921 | 0.63 | MAPK14 (0.41) | PIM1HDAC3HDAC1HDAC2HDAC6 | |
| SCHEMBL9508620 | 0.62 | KDM4E (0.39) | HDAC3HDAC1HDAC2HDAC6ALDH1A1 | |
| SCHEMBL9508614 | 0.62 | KDM4E (0.39) | HDAC3HDAC1HDAC2HDAC6ALDH1A1 | |
| SCHEMBL3735788 | 0.62 | P4HB (0.58) | NTSR1NAMPTSMN1; SMN2MAOAMAOB | |
| SCHEMBL1924482 | 0.62 | PIM1 (0.47) | PIM1CES2CES1HDAC1HDAC6 | |
| SCHEMBL29602493 | 0.62 | PIM1 (0.47) | PIM1CES2CES1HDAC1HDAC6 | |
| SCHEMBL385343 | 0.62 | LMNA (0.53) | PIM1CES2CES1HDAC1HDAC6 |
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 |