Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 9/20 | 0.47 |
| ▸ | TSHR | P16473 | 7/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | HTR2C | P28335 | 1/20 | 0.46 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | CASP1 | P29466 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL11901994 | 0.91 | ALDH1A1 (0.46) | CYP3A4TSHRALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL3748764 | 0.91 | CTSL (0.50) | SMN1; SMN2KMT2AHTR2CNPC1RAB9A | |
| SCHEMBL3744365 | 0.91 | CTSL (0.50) | SMN1; SMN2KMT2AHTR2CNPC1RAB9A | |
| SCHEMBL11965223 | 0.87 | HTR2C (0.47) | CYP3A4TSHRALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL3748271 | 0.85 | SMN1; SMN2 (0.48) | CYP2C19SMN1; SMN2HTR2CNPC1RAB9A | |
| SCHEMBL3746212 | 0.85 | SMN1; SMN2 (0.48) | CYP2C19SMN1; SMN2HTR2CNPC1RAB9A | |
| SCHEMBL11965219 | 0.85 | HTR2C (0.50) | CYP3A4TSHRALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL1163564 | 0.84 | CTSL (0.41) | CYP3A4TSHRALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL11965235 | 0.83 | HTR2C (0.42) | POLBSMN1; SMN2LMNAMEN1KMT2A | |
| SCHEMBL11902313 | 0.83 | CTSL (0.51) | KMT2AMAPK1HTR2C |
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 |