Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.35 |
| ▸ | CTSS | P25774 | 4/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | CTSL | P07711 | 2/20 | 0.35 |
| ▸ | CTSB | P07858 | 2/20 | 0.35 |
| ▸ | CTSK | P43235 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.35 |
| ▸ | CNR1 | P21554 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2105284 | 1.00 | SMN1; SMN2 (0.41) | SMN1; SMN2CYP3A4MAPTMAPK1CRHR1 | |
| SCHEMBL695239 | 0.90 | NOTUM (0.38) | CYP3A4CRHR1CTSSKDM4ECTSL | |
| SCHEMBL694697 | 0.89 | ELOVL6 (0.41) | SMN1; SMN2CTSSCTSLCTSBCTSK | |
| SCHEMBL2105211 | 0.89 | ELOVL6 (0.41) | SMN1; SMN2CTSSCTSLCTSBCTSK | |
| SCHEMBL2105671 | 0.88 | CRHR1 (0.39) | SMN1; SMN2CYP3A4MAPTMAPK1CRHR1 | |
| SCHEMBL694463 | 0.88 | CRHR1 (0.39) | SMN1; SMN2CYP3A4MAPTMAPK1CRHR1 | |
| SCHEMBL695189 | 0.87 | CTSS (0.49) | SMN1; SMN2CRHR1CTSSCTSLCTSB | |
| SCHEMBL2104910 | 0.87 | CTSS (0.49) | SMN1; SMN2CRHR1CTSSCTSLCTSB | |
| SCHEMBL2105017 | 0.85 | CTSS (0.52) | SMN1; SMN2CTSSCTSLCTSBCTSK | |
| SCHEMBL697407 | 0.85 | CTSS (0.52) | SMN1; SMN2CTSSCTSLCTSBCTSK |
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 |