Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 2/20 | 0.42 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.41 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.38 |
| ▸ | CYP51A1 | Q16850 | 5/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL5149113 | 0.89 | CYP3A4 (0.40) | CYP3A4CYP1A2CYP2C9CYP2C19LMNA | |
| SCHEMBL5234881 | 0.80 | HRH3 (0.53) | HRH3OPRD1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL6629864 | 0.80 | HTR2A (0.43) | CHRNB2CHRNA4HRH3OPRD1SMN1; SMN2 | |
| SCHEMBL2477113 | 0.79 | CYP2D6 (0.55) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL4743433 | 0.78 | CYP17A1 (0.50) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL3282271 | 0.78 | POLB (0.43) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| Hydrochloric Acid SCHEMBL6633931 | 0.77 | CYP2D6 (0.54) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL3924798 | 0.74 | TACR1 (0.44) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL6855637 | 0.73 | SLC6A4 (0.48) | LMNASMN1; SMN2L3MBTL1KDM4E | |
| SCHEMBL3465672 | 0.73 | SLC6A4 (0.48) | LMNASMN1; SMN2L3MBTL1KDM4E |
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-1373233-B1 | DERIVATIVES OF N-(ARYLSULFONYL)BETA-AMINOACIDS COMPRISING A SUBSTITUTED AMINOMETHYL GROUP, THE PREPARATION METHOD THEREOF AND THE PHARMACEUTICAL COMPOSITIONS CONTAINING SAME | SANOFI AVENTIS (FR) | 2007-09-05 | — | — | EP | disclosed |