Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2A | P08913 | 1/20 | 0.35 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.35 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.35 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.33 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.32 |
| ▸ | HCRTR2 | O43614 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.32 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL27296993 | 0.84 | ADRA2A (0.45) | ADRA2AADRA2BADRA2CCYP1A2CYP2D6 | |
| SCHEMBL28014300 | 0.83 | NQO1 (0.38) | CYP1A2CYP2D6CYP2C9CYP2C19HIF1A | |
| SCHEMBL28161023 | 0.82 | HRH3 (0.37) | CYP1B1HCRTR1HCRTR2CYP1A2CYP2D6 | |
| Phthalic Anhydride SCHEMBL27571311 | 0.81 | ADRA2A (0.38) | ADRA2AADRA2BADRA2CCYP1B1HCRTR1 | |
| Furan SCHEMBL28137394 | 0.80 | ADRA2A (0.40) | ADRA2AADRA2BADRA2CCYP1B1CYP1A2 | |
| SCHEMBL28151712 | 0.80 | CA1 (0.37) | ADRA2AADRA2BADRA2CCYP1B1HCRTR1 | |
| SCHEMBL27996699 | 0.79 | ADRA2A (0.36) | ADRA2AADRA2BADRA2CCYP1A2CYP2D6 | |
| SCHEMBL28014354 | 0.78 | ANPEP (0.36) | CYP1A2CYP2D6CYP2C9CYP2C19HIF1A | |
| Pyrrole SCHEMBL28161926 | 0.77 | ADRA2A (0.43) | ADRA2AADRA2BADRA2CHCRTR1HCRTR2 | |
| Phthalic Acid SCHEMBL27288171 | 0.77 | CYP1A2 (0.41) | ADRA2AADRA2BADRA2CCYP1A2CYP2D6 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104508001-B | Process for producing polyester and polyurethane | 基因组股份公司 | 2017-07-07 | — | — | CN | claimed |
| CN-107602824-A | The manufacture method of polyester and polyurethanes | 基因组股份公司 | 2018-01-19 | — | — | CN | disclosed |
| CN-104508001-B | Process for producing polyester and polyurethane | 基因组股份公司 | 2017-07-07 | — | — | CN | disclosed |
| CN-104640830-A | Method for producing 1, 4-butanediol | MITSUBISHI CHEM CORP | 2015-05-20 | — | — | CN | disclosed |
| CN-104508001-A | Process for producing polyester and polyurethane | MITSUBISHI CHEM CORP | 2015-04-08 | — | — | CN | disclosed |