Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 3/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | PGK1 | P00558 | 1/20 | 0.33 |
| ▸ | PGK2 | P07205 | 1/20 | 0.33 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.32 |
| ▸ | NOS1 | P29475 | 1/20 | 0.32 |
| ▸ | NOS2 | P35228 | 1/20 | 0.32 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.32 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.31 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.31 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.31 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.31 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.31 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.31 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL4196201 | 0.98 | KCNH2 (0.38) | KCNH2POLBNPSR1ALDH1A1LMNA | |
| SCHEMBL4211475 | 0.96 | KCNH2 (0.36) | KCNH2POLBNPSR1ALDH1A1LMNA | |
| SCHEMBL8304696 | 0.75 | ALDH1A1 (0.50) | ALDH1A1LMNAMAPTCYP1A2CYP2D6 | |
| SCHEMBL4205985 | 0.75 | KCNH2 (0.40) | KCNH2POLBNPSR1ALDH1A1LMNA | |
| SCHEMBL18157891 | 0.72 | KCNH2 (0.41) | KCNH2POLBNPSR1ALDH1A1LMNA | |
| SCHEMBL4195485 | 0.71 | POLB (0.44) | KCNH2POLBNPSR1ALDH1A1LMNA | |
| SCHEMBL4199571 | 0.70 | KCNH2 (0.40) | KCNH2POLBNPSR1ALDH1A1LMNA | |
| SCHEMBL5069547 | 0.70 | ALDH1A1 (0.40) | KCNH2POLBNPSR1ALDH1A1LMNA | |
| SCHEMBL23518523 | 0.68 | CYP1A2 (0.45) | ALDH1A1LMNAMAPTNOS1NOS2 | |
| SCHEMBL2161730 | 0.68 | POLB (0.45) | KCNH2POLBNPSR1ALDH1A1LMNA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1932824-A1 | METHOD FOR SYNTHESIS OF KETO ACID OR AMINO ACID BY HYDRATION OF ACETHYLENE COMPOUND | Japan Science and Technology Agency (JP) | 2008-06-18 | — | — | EP | disclosed |