Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 2/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | APEX1 | P27695 | 1/20 | 0.33 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | GRM2 | Q14416 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8040010 | 0.82 | ALDH1A1 (0.42) | EPHX1HTR2AALDH1A1SIGMAR1 | |
| SCHEMBL8040937 | 0.82 | MEN1 (0.39) | EPHX1HTTEPHX2ALDH1A1CYP1A2 | |
| SCHEMBL8042890 | 0.82 | HRH3 (0.45) | EPHX1HTTALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL8464214 | 0.82 | EPHX1 (0.47) | EPHX1ALDH1A1CYP2D6SIGMAR1HRH3 | |
| SCHEMBL934587 | 0.81 | HTT (0.49) | EPHX1HTTEPHX2ALDH1A1 | |
| SCHEMBL8039062 | 0.78 | HTT (0.58) | HTTEPHX2ALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL8042576 | 0.78 | EPHX1 (0.47) | EPHX1HRH3 | |
| SCHEMBL12453117 | 0.76 | ATM (0.41) | EPHX1HTTALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL12453120 | 0.76 | EPHX1 (0.50) | EPHX1EPHX2CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL935086 | 0.76 | ATM (0.39) | EPHX1HTTALDH1A1CYP1A2CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109134370-B | Substituted 4-phenylethynyl-1, 8-naphthalimide compound, preparation method and application thereof | 大连理工大学 | 2020-09-29 | — | — | CN | claimed |
| CN-109134370-B | Substituted 4-phenylethynyl-1, 8-naphthalimide compound, preparation method and application thereof | 大连理工大学 | 2020-09-29 | — | — | CN | disclosed |