Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2A | P08913 | 1/20 | 0.42 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.42 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.42 |
| ▸ | HPRT1 | P00492 | 3/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | LCK | P06239 | 1/20 | 0.32 |
| ▸ | FYN | P06241 | 1/20 | 0.32 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL27791402 | 0.86 | ADRA2A (0.34) | ADRA2AADRA2BADRA2C | |
| SCHEMBL27865360 | 0.86 | ADRA2A (0.45) | ADRA2AADRA2BADRA2CHPRT1CYP1A2 | |
| SCHEMBL28133212 | 0.86 | ADRA2A (0.42) | ADRA2AADRA2BADRA2CHPRT1CYP1A2 | |
| SCHEMBL28126370 | 0.86 | ADRA2A (0.42) | ADRA2AADRA2BADRA2CHPRT1CYP1A2 | |
| SCHEMBL27786102 | 0.86 | ADRA2A (0.42) | ADRA2AADRA2BADRA2CHPRT1CYP1A2 | |
| SCHEMBL28159355 | 0.86 | ADRA2A (0.42) | ADRA2AADRA2BADRA2CHPRT1CYP1A2 | |
| SCHEMBL27805312 | 0.84 | ADRA2A (0.41) | ADRA2AADRA2BADRA2CHPRT1CYP1A2 | |
| SCHEMBL28123487 | 0.84 | ADRA2A (0.41) | ADRA2AADRA2BADRA2CHPRT1CYP1A2 | |
| SCHEMBL28148564 | 0.83 | ADRA2A (0.41) | ADRA2AADRA2BADRA2CHPRT1CYP1A2 | |
| SCHEMBL28140151 | 0.83 | ADRA2A (0.41) | ADRA2AADRA2BADRA2CHPRT1CYP1A2 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104955454-B | Chemokine receptor anagonists | 凯莫森特里克斯股份有限公司 | 2018-06-29 | — | — | CN | disclosed |
| CN-107922415-A | Novel bicyclic compounds as dual ATX/CA inhibitors | 豪夫迈·罗氏有限公司 | 2018-04-17 | — | — | CN | disclosed |
| CN-107922412-A | Bicyclic compound as ATX inhibitor | 豪夫迈·罗氏有限公司 | 2018-04-17 | — | — | CN | disclosed |
| CN-107835813-A | For treating and preventing the hepatitis b virus infected new ketone compounds of 6,7 dihydro pyridos [2,1 a] phthalazines 2 | 豪夫迈·罗氏有限公司 | 2018-03-23 | — | — | CN | disclosed |
| CN-107709315-A | The inhibitor of bruton's tyrosine kinase | 药品循环有限责任公司 | 2018-02-16 | — | — | CN | disclosed |
| CN-107635995-A | BICYCLIC COMPOUNDS AS ATX INHIBITORS | 豪夫迈·罗氏有限公司 | 2018-01-26 | — | — | CN | disclosed |
| CN-107614505-A | New bicyclo compound as dual ATX/CA inhibitor | 豪夫迈·罗氏有限公司 | 2018-01-19 | — | — | CN | disclosed |