Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.78 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.78 |
| ▸ | CYP2A6 | P11509 | 11/20 | 0.76 |
| ▸ | CYP2C19 | P33261 | 7/20 | 0.76 |
| ▸ | CYP2C9 | P11712 | 6/20 | 0.76 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.76 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.73 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.73 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.73 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.73 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.73 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.73 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.73 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.73 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.73 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.73 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.73 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.64 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.64 |
| ▸ | CYP2E1 | P05181 | 5/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL324539 | 0.88 | MKNK1 (1.00) | MKNK1MKNK2CYP2A6CYP2C19CYP2C9 | |
| SCHEMBL27565416 | 0.86 | MKNK1 (0.73) | MKNK1MKNK2CYP2A6CYP2C19CYP2C9 | |
| SCHEMBL3649364 | 0.86 | CYP2A6 (1.00) | MKNK1MKNK2CYP2A6CYP2C19CYP2C9 | |
| SCHEMBL5903988 | 0.85 | HDAC1 (1.00) | MKNK1MKNK2CYP2A6CYP2C19CYP2C9 | |
| SCHEMBL3098140 | 0.82 | HDAC6 (0.71) | MKNK1MKNK2CYP2A6CYP2C19CYP2C9 | |
| SCHEMBL29854440 | 0.80 | CYP2A6 (0.73) | MKNK1MKNK2CYP2A6CYP2C19CYP2C9 | |
| SCHEMBL23091240 | 0.80 | MKNK1 (0.64) | MKNK1MKNK2CYP2A6CYP2C19CYP2C9 | |
| SCHEMBL30501748 | 0.80 | HDAC3 (0.74) | MKNK1MKNK2CYP2A6CYP2C19CYP2C9 | |
| SCHEMBL30501648 | 0.80 | MKNK1 (0.64) | MKNK1MKNK2CYP2A6CYP2C19CYP2C9 | |
| SCHEMBL23091265 | 0.80 | HDAC3 (0.74) | MKNK1MKNK2CYP2A6CYP2C19CYP2C9 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-100343256-C | Biaryl substituted diazabicycloalkane amides as nicotinic acetylcholine agonists | ASTRAZENECA AB (SE) | 2007-10-17 | — | — | CN | claimed |
| CN-1678615-A | Biaryl substituted diazabicycloalkanes as nicotinic acetylcholine antagonists | ASTRAZENECA AB (SE) | 2005-10-05 | — | — | CN | claimed |
| CN-102850324-A | Indole compounds | MICROBIA INC | 2013-01-02 | — | — | CN | disclosed |
| CN-101563337-A | Indole compounds | MICROBIA INC (US) | 2009-10-21 | — | — | CN | disclosed |
| CN-100343256-C | Biaryl substituted diazabicycloalkane amides as nicotinic acetylcholine agonists | ASTRAZENECA AB (SE) | 2007-10-17 | — | — | CN | disclosed |
| CN-1678615-A | Biaryl substituted diazabicycloalkanes as nicotinic acetylcholine antagonists | ASTRAZENECA AB (SE) | 2005-10-05 | — | — | CN | disclosed |