Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | CNR2 | P34972 | 1/20 | 0.43 |
| ▸ | ACP3 | P15309 | 1/20 | 0.42 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | CTSA | P10619 | 1/20 | 0.40 |
| ▸ | TACR1 | P25103 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.38 |
| ▸ | HDAC5 | Q9UQL6 | 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 | 0.85 | HDAC4 (0.52) | CNR2ACP3CES2CES1TACR1 | |
| SCHEMBL4433967 | 0.84 | ACP3 (0.41) | CNR2ACP3CES2CES1CTSA | |
| SCHEMBL4432350 | 0.82 | AKR1C3 (0.45) | HTTACP3CES2CES1TACR1 | |
| SCHEMBL2304585 | 0.82 | ACP3 (0.56) | RAB9ACNR2ACP3CES2CES1 | |
| SCHEMBL12780403 | 0.82 | ACP3 (0.51) | MEN1KMT2AACP3ALDH1A1HDAC4 | |
| SCHEMBL28227221 | 0.81 | ALDH1A1 (0.44) | KMT2ACNR2ACP3ALDH1A1 | |
| SCHEMBL22917035 | 0.78 | ESR1 (0.46) | MEN1MAPTRAB9AKMT2AACP3 | |
| SCHEMBL4432335 | 0.77 | CES2 (0.41) | MAPTACP3CES2CES1TACR1 | |
| SCHEMBL4428068 | 0.75 | AKR1C3 (0.41) | CES2CES1HDAC4HDAC3HDAC1 | |
| SCHEMBL4434012 | 0.75 | TRPM8 (0.42) | ALDH1A1 |
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 |