Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABBR2 | O75899 | 4/20 | 0.42 |
| ▸ | GABBR1 | Q9UBS5 | 4/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | DRD3 | P35462 | 1/20 | 0.42 |
| ▸ | BLM | P54132 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8903093 | 0.85 | GAA (0.46) | GABBR2GABBR1LMNACYP2C9CYP3A4 | |
| SCHEMBL8770867 | 0.83 | ALDH1A1 (0.42) | LMNAALDH1A1HTTSMN1; SMN2SLC6A3 | |
| SCHEMBL21656114 | 0.83 | GABBR2 (0.41) | GABBR2GABBR1LMNACYP2C9CYP3A4 | |
| SCHEMBL21656591 | 0.80 | GABBR2 (0.43) | GABBR2GABBR1LMNACYP2C9CYP3A4 | |
| SCHEMBL8903798 | 0.79 | GABBR2 (0.40) | GABBR2GABBR1LMNACYP2C9CYP3A4 | |
| SCHEMBL5877648 | 0.79 | GABBR2 (0.42) | GABBR2GABBR1LMNACYP2C9CYP3A4 | |
| SCHEMBL5877614 | 0.79 | GABBR2 (0.42) | GABBR2GABBR1LMNACYP2C9CYP3A4 | |
| SCHEMBL5877532 | 0.79 | GABBR2 (0.42) | GABBR2GABBR1LMNACYP2C9CYP3A4 | |
| SCHEMBL21656318 | 0.78 | GABBR2 (0.42) | GABBR2GABBR1GAA | |
| SCHEMBL27494782 | 0.78 | GABBR2 (0.42) | GABBR2GABBR1CYP2D6GAA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5686609-A | Aromatic amine compounds, Their method of preparation and pharmaceutical compositions in which they are present | SANOFI (FR) | 1997-11-11 | — | — | US | disclosed |
| US-5618938-A | Process for preparing stereo isomers of neurokinin receptor antagonists | SANOFI (FR) | 1997-04-08 | — | — | US | disclosed |
| US-5317020-A | Neurokinin receiver antagonist as antiinflammatory agents | SANOFI (FR) | 1994-05-31 | — | — | US | disclosed |