Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 5/20 | 0.41 |
| ▸ | FAAH | O00519 | 4/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.37 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.37 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | NCEH1 | Q6PIU2 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL21964035 | 0.85 | CES1 (0.36) | CES1FAAHALDH1A1PKMHDAC3 | |
| SCHEMBL2422303 | 0.82 | FAAH (0.43) | CES1FAAHALDH1A1PKMCYP1A2 | |
| SCHEMBL22015050 | 0.81 | CES1 (0.34) | CES1FAAHALDH1A1PKMHDAC3 | |
| SCHEMBL30753499 | 0.81 | FAAH (0.42) | CES1FAAHALDH1A1PKMCYP1A2 | |
| Benzene SCHEMBL30353855 | 0.79 | CES1 (0.43) | CES1FAAHALDH1A1PKMHDAC3 | |
| SCHEMBL22015495 | 0.77 | CES1 (0.46) | CES1FAAHALDH1A1PKMHDAC3 | |
| SCHEMBL27865478 | 0.72 | CES1 (0.44) | CES1FAAHALDH1A1HDAC3HDAC4 | |
| SCHEMBL4152892 | 0.72 | — | — | |
| SCHEMBL6613705 | 0.71 | FAAH (0.43) | CES1FAAHHDAC3HDAC4HDAC1 | |
| SCHEMBL11251597 | 0.71 | CES1 (0.44) | CES1FAAHHDAC3HDAC4HDAC1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010008775-A1 | AMINOPYRIDOPYRAZINONE DERIVATIVES FOR TREATING NEURODEGENERATIVE DISEASES | LIGAND PHARMACEUTICALS INC. (US) | 2010-01-21 | — | — | WO | disclosed |
| WO-2010008775-A1 | AMINOPYRIDOPYRAZINONE DERIVATIVES FOR TREATING NEURODEGENERATIVE DISEASES | LIGAND PHARMACEUTICALS INC. (US) | 2010-01-21 | — | — | WO | disclosed |