Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK2 | O96017 | 4/20 | 0.56 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.52 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.52 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.52 |
| ▸ | LTA4H | P09960 | 1/20 | 0.51 |
| ▸ | MMP2 | P08253 | 1/20 | 0.50 |
| ▸ | MMP9 | P14780 | 1/20 | 0.50 |
| ▸ | MMP8 | P22894 | 1/20 | 0.50 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.49 |
| ▸ | CES2 | O00748 | 1/20 | 0.46 |
| ▸ | CES1 | P23141 | 1/20 | 0.46 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | LCK | P06239 | 1/20 | 0.45 |
| ▸ | FYN | P06241 | 1/20 | 0.45 |
| ▸ | DAO | P14920 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL203627 | 0.85 | LCK (0.59) | CHEK2CYP2A6CYP2E1CYP2B6MMP2 | |
| SCHEMBL6516791 | 0.83 | HSD17B1 (0.55) | CHEK2CYP2A6CYP2E1CYP2B6MMP2 | |
| SCHEMBL7334475 | 0.83 | CHEK2 (0.53) | CHEK2CYP2A6CYP2E1CYP2B6LTA4H | |
| SCHEMBL7639339 | 0.83 | CHEK2 (0.57) | CHEK2CYP2A6CYP2E1CYP2B6LTA4H | |
| SCHEMBL30898463 | 0.83 | CHEK2 (0.76) | CHEK2CYP2A6CYP2E1CYP2B6MMP2 | |
| SCHEMBL27989815 | 0.81 | CYP2A6 (0.74) | CHEK2CYP2A6CYP2E1CYP2B6ACMSD | |
| SCHEMBL5944164 | 0.80 | HDAC1 (0.63) | CHEK2MMP2MMP9MMP8 | |
| SCHEMBL12670300 | 0.79 | SMN1; SMN2 (0.59) | CHEK2CYP2A6CYP2E1CYP2B6LTA4H | |
| SCHEMBL12632181 | 0.79 | CHEK2 (0.53) | CHEK2CYP2A6CYP2E1CYP2B6MMP2 | |
| SCHEMBL12582092 | 0.79 | CHEK2 (0.49) | CHEK2CYP2A6CYP2E1CYP2B6MMP2 |
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-102906093-B | NK-3 receptor selective antagonists compound, pharmaceutical composition and the using method in the receptor-mediated disease of NK-3 | EUROSCREEN S.A. (BE) | 2016-01-13 | — | — | CN | claimed |
| CN-102906093-A | Novel nk-3 receptor selective antagonist compounds, pharmaceutical composition and methods for use in nk-3 receptors mediated disorders | EUROSCREEN SA | 2013-01-30 | — | — | CN | claimed |
| 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-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 |