Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | EPHX2 | P34913 | 4/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL11609867 | 0.88 | CYP1A2 (0.55) | CYP1A2CYP2C9CYP2C19POLBEPHX2 | |
| SCHEMBL27292036 | 0.87 | CYP1A2 (0.51) | CYP1A2CYP2C9CYP2C19POLBEPHX2 | |
| SCHEMBL8080102 | 0.83 | CYP1A2 (0.49) | CYP1A2CYP2C9CYP2C19POLBKMT2A | |
| SCHEMBL8074829 | 0.83 | OGG1 (0.57) | KMT2AMAPTL3MBTL1ALDH1A1 | |
| SCHEMBL11609874 | 0.81 | EPHX2 (0.50) | CYP1A2CYP2C9CYP2C19POLBEPHX2 | |
| SCHEMBL23356457 | 0.80 | CYP1A2 (0.54) | CYP1A2CYP2C9CYP2C19POLBEPHX2 | |
| SCHEMBL9285601 | 0.80 | MEN1 (0.58) | CYP1A2CYP2C9CYP2C19POLBEPHX2 | |
| SCHEMBL18331472 | 0.80 | MEN1 (0.58) | CYP1A2CYP2C9CYP2C19POLBEPHX2 | |
| SCHEMBL6619368 | 0.79 | CYP1A2 (0.57) | CYP1A2CYP2C9CYP2C19POLBEPHX2 | |
| SCHEMBL8066974 | 0.79 | SMN1; SMN2 (0.56) | CYP1A2CYP2C9CYP2C19KMT2AMEN1 |
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-1031629-A2 | Method of preparation of stereoisomeric carboxylic acid esters | BASF AKTIENGESELLSCHAFT (DE) | 2000-08-30 | — | — | EP | disclosed |