Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.67 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.67 |
| ▸ | PKM | P14618 | 1/20 | 0.67 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.67 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.67 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.45 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | GABBR2 | O75899 | 1/20 | 0.44 |
| ▸ | GABBR1 | Q9UBS5 | 1/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.42 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.42 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.42 |
| ▸ | GLS | O94925 | 1/20 | 0.41 |
| ▸ | MMP8 | P22894 | 1/20 | 0.41 |
| ▸ | PRKCA | P17252 | 1/20 | 0.40 |
| ▸ | PRKCD | Q05655 | 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 | |
|---|---|---|---|---|
| SCHEMBL8056124 | 0.91 | CYP1A2 (0.83) | CYP1A2CYP2D6PKMSMN1; SMN2NPSR1 | |
| SCHEMBL8392182 | 0.91 | CYP1A2 (0.83) | CYP1A2CYP2D6PKMSMN1; SMN2NPSR1 | |
| SCHEMBL8392180 | 0.91 | CYP1A2 (0.83) | CYP1A2CYP2D6PKMSMN1; SMN2NPSR1 | |
| SCHEMBL3008828 | 0.91 | CYP1A2 (0.56) | CYP1A2CYP2D6PKMSMN1; SMN2NPSR1 | |
| SCHEMBL2705027 | 0.91 | CYP1A2 (0.56) | CYP1A2CYP2D6PKMSMN1; SMN2NPSR1 | |
| SCHEMBL2705028 | 0.91 | CYP1A2 (0.56) | CYP1A2CYP2D6PKMSMN1; SMN2NPSR1 | |
| SCHEMBL8103307 | 0.91 | CYP1A2 (0.56) | CYP1A2CYP2D6PKMSMN1; SMN2NPSR1 | |
| SCHEMBL7019140 | 0.91 | CYP1A2 (0.56) | CYP1A2CYP2D6PKMSMN1; SMN2NPSR1 | |
| SCHEMBL27552075 | 0.89 | CYP1A2 (0.59) | CYP1A2CYP2D6PKMSMN1; SMN2NPSR1 | |
| SCHEMBL6396869 | 0.89 | CYP1A2 (0.54) | CYP1A2CYP2D6PKMSMN1; SMN2NPSR1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5032523-A | Preparation of optically active esters | LION CORPORATION (JP) | 1991-07-16 | — | — | US | disclosed |