Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 1/20 | 0.35 |
| ▸ | GBA2 | Q9HCG7 | 3/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | GNAI3 | P08754 | 4/20 | 0.33 |
| ▸ | GNAO1 | P09471 | 4/20 | 0.33 |
| ▸ | GNAI1 | P63096 | 4/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.33 |
| ▸ | DRD4 | P21917 | 1/20 | 0.33 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | HRH1 | P35367 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7493150 | 0.80 | GBA2 (0.38) | DPP4GBA2POLBHPGDCHRM1 | |
| SCHEMBL25289307 | 0.80 | DPP4 (0.41) | DPP4GNAI3GNAO1GNAI1 | |
| SCHEMBL3392895 | 0.75 | GBA2 (0.35) | DPP4GBA2POLBHPGDGNAI3 | |
| SCHEMBL18007267 | 0.74 | LSS (0.38) | DPP4POLBCOL1A1MAPT | |
| SCHEMBL23527269 | 0.72 | GBA2 (0.35) | GBA2POLBHPGDGBA1 | |
| SCHEMBL2570899 | 0.71 | ALDH1A1 (0.31) | POLBHPGDGNAI3GNAO1GNAI1 | |
| SCHEMBL14513315 | 0.69 | CHRNB2 (0.34) | DPP4GBA2POLBGBA1MAPT | |
| SCHEMBL5222630 | 0.69 | S1PR3 (0.40) | DPP4GNAI3GNAO1GNAI1ALOX5 | |
| SCHEMBL26689858 | 0.69 | GBA2 (0.40) | GBA2GBA1MAPT | |
| SCHEMBL2435934 | 0.69 | TACR3 (0.40) | DPP4POLB |
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-2999469-A1 | PHARMACEUTICAL COMPOSITION AND THE USE THEREOF, AND APPLICATION REGIME OF SAID PHARMACEUTICAL COMPOSITION FOR ON-DEMAND CONTRACEPTION | Bayer Pharma Aktiengesellschaft (DE) | 2016-03-30 | — | — | EP | disclosed |
| WO-2014187744-A1 | PHARMACEUTICAL COMPOSITION AND THE USE THEREOF, AND APPLICATION REGIME OF SAID PHARMACEUTICAL COMPOSITION FOR ON-DEMAND CONTRACEPTION | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2014-11-27 | — | — | WO | disclosed |