Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.39 |
| ▸ | UCHL1 | P09936 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.34 |
| ▸ | GPR119 | Q8TDV5 | 3/20 | 0.33 |
| ▸ | AR | P10275 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | CTSK | P43235 | 3/20 | 0.32 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL15200625 | 1.00 | CYP1A2 (0.43) | CYP1A2POLBCYP3A4CYP2C19CHRM2 | |
| SCHEMBL696541 | 0.84 | UCHL1 (0.37) | CYP1A2POLBCYP3A4CYP2C19CHRM2 | |
| SCHEMBL695841 | 0.80 | MEN1 (0.32) | UCHL1MEN1ALDH1A1MAPTKMT2A | |
| SCHEMBL695593 | 0.80 | MEN1 (0.33) | UCHL1MEN1ALDH1A1MAPTKMT2A | |
| SCHEMBL2499441 | 0.79 | CYP1A2 (0.49) | CYP1A2POLBCYP3A4CYP2C19CHRM2 | |
| SCHEMBL4488887 | 0.79 | CYP1A2 (0.49) | CYP1A2POLBCYP3A4CYP2C19CHRM2 | |
| SCHEMBL2495598 | 0.79 | CYP1A2 (0.49) | CYP1A2POLBCYP3A4CYP2C19CHRM2 | |
| SCHEMBL6604308 | 0.79 | CYP1A2 (0.49) | CYP1A2POLBCYP3A4CYP2C19CHRM2 | |
| SCHEMBL2493129 | 0.79 | CYP1A2 (0.49) | CYP1A2POLBCYP3A4CYP2C19CHRM2 | |
| SCHEMBL695975 | 0.79 | CTSL (0.34) | UCHL1MEN1ALDH1A1MAPTKMT2A |
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-2421826-A1 | PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS | F. Hoffmann-La Roche AG (CH) | 2012-02-29 | — | — | EP | disclosed |
| WO-2010121918-A1 | PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-10-28 | — | — | WO | disclosed |