Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 1/20 | 0.35 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.34 |
| ▸ | SRC | P12931 | 8/20 | 0.33 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4669615 | 1.00 | NR1H2 (0.35) | NR1H2ABCB1SRCPARP1CHRM2 | |
| SCHEMBL7451687 | 1.00 | NR1H2 (0.35) | NR1H2ABCB1SRCPARP1CHRM2 | |
| SCHEMBL17152840 | 0.90 | NR1H2 (0.34) | NR1H2ABCB1SRCPARP1CHRM2 | |
| SCHEMBL12431668 | 0.90 | NR1H2 (0.37) | NR1H2ABCB1SRCPARP1CHRM2 | |
| SCHEMBL1526484 | 0.89 | NR1H2 (0.35) | NR1H2ABCB1SRCPARP1CHRM2 | |
| SCHEMBL1526483 | 0.89 | NR1H2 (0.35) | NR1H2ABCB1SRCPARP1CHRM2 | |
| SCHEMBL1372634 | 0.88 | NR1H2 (0.42) | NR1H2ABCB1SRCPARP1CHRM2 | |
| SCHEMBL8113817 | 0.88 | NR1H2 (0.36) | NR1H2ABCB1SRCPARP1CHRM2 | |
| SCHEMBL21286125 | 0.88 | NR1H2 (0.42) | NR1H2ABCB1SRCPARP1CHRM2 | |
| SCHEMBL19964151 | 0.88 | NR1H2 (0.42) | NR1H2ABCB1SRCPARP1CHRM2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1905759-A1 | N-[1-(3-AMINO-4-PHENYL-BUTYRYL)-4-HYDROXY-PYRROLIDIN-2-YLMETHYL}-PROPIONAMIDE AND RELATED COMPOUNDS AS DPP-IV INHIBITORS FOR THE TREATMENT OFTYPE 2 DIABETES MELLITUS | Santhera Pharmaceuticals (Schweiz) AG (CH) | 2008-04-02 | — | — | EP | disclosed |
| WO-2008028662-A1 | N-[1-(3-AMINO-4-PHENYL-BUTYRYL)-4-HYDROXY-PYRROLIDIN-2-YLMETHYL}-PROPIONAMIDE AND RELATED COMPOUNDS AS DPP-IV INHIBITORS FOR THE TREATMENT OF TYPE 2 DIABETES MELLITUS | SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) | 2008-03-13 | — | — | WO | disclosed |