Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.34 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.34 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL7207409 | 0.78 | NPSR1 (0.36) | SMN1; SMN2NPSR1CA14CYP4F2CYP4A11 | |
| SCHEMBL18952230 | 0.76 | SMN1; SMN2 (0.32) | SMN1; SMN2NPSR1CA14CYP4F2CYP4A11 | |
| SCHEMBL22622885 | 0.76 | — | — | |
| SCHEMBL25549209 | 0.75 | DPP4 (0.42) | SMN1; SMN2NPSR1ALDH1A1MEN1KMT2A | |
| SCHEMBL21119351 | 0.75 | SMN1; SMN2 (0.34) | SMN1; SMN2NPSR1CA14CYP4F2CYP4A11 | |
| SCHEMBL28139936 | 0.75 | TSHR (0.38) | TSHR | |
| SCHEMBL18952211 | 0.74 | SMN1; SMN2 (0.33) | SMN1; SMN2CA14THRBCYP1A2CYP2C9 | |
| SCHEMBL7208896 | 0.74 | NPSR1 (0.33) | SMN1; SMN2NPSR1ALDH1A1MEN1KMT2A | |
| SCHEMBL1963704 | 0.73 | EPHX1 (0.34) | SMN1; SMN2ALDH1A1 | |
| SCHEMBL1874859 | 0.73 | CYP2C19 (0.36) | SMN1; SMN2CYP1A2ALDH1A1TSHR |
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-1799645-A2 | PROCESSES AND INTERMEDIATES FOR PREPARING CYSTEINE PROTEASE INHIBITORS | Bayer Schering Pharma Aktiengesellschaft (DE) | 2007-06-27 | — | — | EP | disclosed |
| WO-2006034004-A2 | PROCESSES AND INTERMEDIATES FOR PREPARING CYSTEINE PROTEASE INHIBITORS | SCHERING AKTIENGESELLSCHAFT (DE) | 2006-03-30 | — | — | WO | disclosed |