Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | ELANE | P08246 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | F2 | P00734 | 2/20 | 0.39 |
| ▸ | CTSG | P08311 | 1/20 | 0.39 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.38 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL26115372 | 0.87 | SMN1; SMN2 (0.48) | SMN1; SMN2NPC1RAB9AHTR2CGAA | |
| SCHEMBL25417193 | 0.74 | HTT (0.42) | SMN1; SMN2NPC1RAB9AHTR2CCYP2C19 | |
| SCHEMBL14609981 | 0.72 | SMN1; SMN2 (0.54) | SMN1; SMN2NPC1RAB9AHTR2CGAA | |
| SCHEMBL5118035 | 0.72 | SMN1; SMN2 (0.50) | SMN1; SMN2NPC1RAB9AHTR2CGAA | |
| SCHEMBL154134 | 0.72 | HTR2C (0.55) | SMN1; SMN2NPC1RAB9AHTR2CCYP2C19 | |
| SCHEMBL12094663 | 0.72 | HTR2C (0.55) | SMN1; SMN2NPC1RAB9AHTR2CCYP2C19 | |
| SCHEMBL26113894 | 0.71 | SMN1; SMN2 (0.49) | SMN1; SMN2NPC1RAB9AHTR2CGAA | |
| SCHEMBL5122115 | 0.70 | SMN1; SMN2 (0.52) | SMN1; SMN2NPC1RAB9AHTR2CGAA | |
| SCHEMBL204928 | 0.70 | SMN1; SMN2 (0.48) | SMN1; SMN2NPC1RAB9AHTR2CGAA | |
| SCHEMBL1012858 | 0.70 | SMN1; SMN2 (0.43) | SMN1; SMN2NPC1RAB9AHTR2CGAA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011018796-A1 | AN IMPROVED PROCESS FOR THE SYNTHESIS OF ALKYL/ARALKYL (2S)-2-(TERT-BUTOXYCARBONYL)-AMINO-2-[-8-AZABICYCLO[3.2.1]OCT-3-YL]-EXO-ACETATE AND ANALOGS THEREOF: KEY INTERMEDIATES FOR THE PREPARATION OF DPPIV INHIBITORS | LUPIN LIMITED (IN) | 2011-02-17 | — | — | WO | claimed |