Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.38 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | SRC | P12931 | 1/20 | 0.35 |
| ▸ | CTSA | P10619 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | STAT3 | P40763 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | CNR1 | P21554 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4440986 | 0.89 | BRD4 (0.46) | AKR1C3AKR1C2POLB | |
| SCHEMBL4432365 | 0.84 | AKR1C3 (0.43) | AKR1C3AKR1C2ALDH1A1CNR1 | |
| SCHEMBL4430513 | 0.83 | PTGS2 (0.50) | ALDH1A1PTGS2HSD17B10 | |
| SCHEMBL4434008 | 0.81 | AKR1C3 (0.39) | AKR1C3AKR1C2POLB | |
| SCHEMBL13172062 | 0.81 | HDAC1 (0.38) | AKR1C3AKR1C2LMNASMN1; SMN2HTT | |
| SCHEMBL16807291 | 0.80 | ACHE (0.52) | LMNASMN1; SMN2MEN1KMT2AALDH1A1 | |
| SCHEMBL4427963 | 0.80 | HDAC4 (0.42) | ALDH1A1ACHEHSD17B10 | |
| SCHEMBL4435119 | 0.78 | KCNQ3 (0.41) | AKR1C3AKR1C2ALDH1A1 | |
| Acetone SCHEMBL8119850 | 0.78 | STAT3 (0.42) | LMNASMN1; SMN2HTTMEN1KMT2A | |
| SCHEMBL16148557 | 0.77 | AKR1C3 (0.41) | AKR1C3AKR1C2MEN1KMT2AALDH1A1 |
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 |