Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSL | P07711 | 1/20 | 0.41 |
| ▸ | AGTR2 | P50052 | 6/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.38 |
| ▸ | TSHR | P16473 | 5/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | KLK7 | P49862 | 1/20 | 0.37 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.37 |
| ▸ | YAP1 | P46937 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3744365 | 0.89 | CTSL (0.50) | CTSLAGTR2KMT2AL3MBTL1SMN1; SMN2 | |
| SCHEMBL3748764 | 0.89 | CTSL (0.50) | CTSLAGTR2KMT2AL3MBTL1SMN1; SMN2 | |
| SCHEMBL1163483 | 0.84 | CYP3A4 (0.47) | CYP3A4TSHRCYP2C9CYP2C19CYP1A2 | |
| SCHEMBL6880634 | 0.83 | CTSL (0.51) | CTSLAGTR2KMT2AL3MBTL1MAPK1 | |
| SCHEMBL11902313 | 0.83 | CTSL (0.51) | CTSLAGTR2KMT2AL3MBTL1MAPK1 | |
| SCHEMBL1163671 | 0.82 | CTSL (0.49) | CTSLAGTR2KMT2AL3MBTL1KLK7 | |
| SCHEMBL6882544 | 0.77 | AGTR2 (0.43) | AGTR2CYP3A4TSHRCYP2C9CYP2C19 | |
| SCHEMBL11901994 | 0.77 | ALDH1A1 (0.46) | AGTR2CYP3A4TSHRCYP2C9CYP2C19 | |
| SCHEMBL21653658 | 0.77 | KMT2A (0.62) | CTSLAGTR2TSHRALDH1A1KMT2A | |
| SCHEMBL21653773 | 0.77 | KMT2A (0.62) | CTSLAGTR2TSHRALDH1A1KMT2A |
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 | disclosed |