Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APP | P05067 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.41 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | MMP2 | P08253 | 2/20 | 0.33 |
| ▸ | MMP1 | P03956 | 1/20 | 0.33 |
| ▸ | MMP9 | P14780 | 1/20 | 0.33 |
| ▸ | MMP12 | P39900 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.31 |
| ▸ | HTR1A | P08908 | 2/20 | 0.31 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.31 |
| ▸ | ADRA2A | P08913 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4111368 | 1.00 | APP (0.47) | APPMAPTCACNA1BAPBA1CYP3A4 | |
| SCHEMBL32677337 | 0.83 | CYP3A4 (0.44) | MAPTCYP3A4ALDH1A1TTRLMNA | |
| SCHEMBL12971288 | 0.80 | DPP4 (0.40) | APPMAPTPOLBALDH1A1MEN1 | |
| SCHEMBL12971290 | 0.80 | DPP4 (0.40) | APPMAPTPOLBALDH1A1MEN1 | |
| SCHEMBL14127535 | 0.75 | MIF (0.36) | CYP3A4TSHRALDH1A1MMP2MMP1 | |
| SCHEMBL14127537 | 0.75 | MIF (0.36) | CYP3A4TSHRALDH1A1MMP2MMP1 | |
| SCHEMBL15853223 | 0.74 | DPP4 (0.34) | CYP3A4MMP2MMP1MMP9MMP12 | |
| SCHEMBL3801146 | 0.74 | MAPT (0.39) | APPMAPTCACNA1BAPBA1CYP3A4 | |
| SCHEMBL3801151 | 0.74 | MAPT (0.39) | APPMAPTCACNA1BAPBA1CYP3A4 | |
| SCHEMBL2640817 | 0.72 | CYP3A4 (0.35) | APPMAPTCACNA1BAPBA1CYP3A4 |
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-2009064476-A1 | PREPARATION OF SITAGLIPTIN INTERMEDIATE | TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) | 2009-05-22 | — | — | WO | disclosed |