Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 4/20 | 0.74 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.74 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.74 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.74 |
| ▸ | FGFR1 | P11362 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | PPARD | Q03181 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.42 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.42 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL14129885 | 0.85 | CYP2D6 (1.00) | CYP2C9CYP1A2CYP2C19CYP2D6PPARD | |
| SCHEMBL20817508 | 0.81 | CYP1A2 (0.52) | CYP2C9CYP1A2CYP2C19CYP2D6TSHR | |
| SCHEMBL13481252 | 0.79 | CYP2D6 (0.88) | CYP2C9CYP1A2CYP2C19CYP2D6TSHR | |
| SCHEMBL2095969 | 0.79 | NOTUM (0.53) | CYP2C9CYP1A2CYP2C19CYP2D6FGFR1 | |
| SCHEMBL4199187 | 0.77 | SMN1; SMN2 (0.56) | TSHRALDH1A1KDM4EKMT2A | |
| SCHEMBL1186530 | 0.77 | NPC1 (0.52) | ALDH1A1KDM4ECYP19A1 | |
| SCHEMBL18617583 | 0.76 | CYP1A2 (0.43) | CYP2C9CYP1A2CYP2C19CYP2D6FGFR1 | |
| SCHEMBL11926858 | 0.76 | CYP2A6 (0.62) | CYP2C9CYP1A2CYP2C19CYP2D6ALDH1A1 | |
| SCHEMBL2095967 | 0.75 | CYP2A6 (0.50) | CYP2C9CYP1A2CYP2C19CYP2D6TSHR | |
| SCHEMBL11990207 | 0.75 | CYP1A2 (0.47) | CYP2C9CYP1A2CYP2C19CYP2D6ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2297129-B1 | SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT | MERCK SHARP & DOHME (US) | 2013-07-24 | — | — | EP | disclosed |
| US-8343990-B2 | Substituted cyclopropyl compounds, compositions containing such compounds and methods of treatment | MERCK SHARP & DOHME CORP. (US) | 2013-01-01 | — | — | US | disclosed |
| WO-2009129036-A1 | SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT | MERCK & CO., INC. (US) | 2009-10-22 | — | — | WO | disclosed |