Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | PKM | P14618 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 4/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.45 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL10553638 | 0.87 | GAA (0.56) | CYP1A2GAACYP2C9PKMCYP2C19 | |
| SCHEMBL8076393 | 0.83 | CYP1A2 (0.49) | CYP1A2GAACYP2C9CYP2C19MAPT | |
| SCHEMBL8074829 | 0.83 | OGG1 (0.57) | MAPTL3MBTL1ALDH1A1HTTKDM4E | |
| SCHEMBL27462634 | 0.81 | TSHR (0.50) | CYP1A2GAACYP2C9PKMCYP2C19 | |
| SCHEMBL28285659 | 0.79 | CYP1A2 (0.53) | CYP1A2GAACYP2C9PKMCYP2C19 | |
| SCHEMBL10553647 | 0.79 | MAPT (0.54) | CYP1A2GAACYP2C9PKMCYP2C19 | |
| SCHEMBL44089 | 0.78 | GAA (0.55) | CYP1A2GAACYP2C9PKMCYP2C19 | |
| SCHEMBL839599 | 0.78 | CYP1A2 (0.55) | CYP1A2GAACYP2C9PKMCYP2C19 | |
| SCHEMBL16672919 | 0.78 | GAA (0.55) | CYP1A2GAACYP2C9PKMCYP2C19 | |
| SCHEMBL9900712 | 0.77 | GAA (0.58) | CYP1A2GAACYP2C9PKMCYP2C19 |
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 |