Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM1 | P11229 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | CTSS | P25774 | 2/20 | 0.32 |
| ▸ | DPP4 | P27487 | 2/20 | 0.31 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.31 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
| ▸ | SMARCA2 | P51531 | 1/20 | 0.30 |
| ▸ | SMARCA4 | P51532 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL695912 | 1.00 | CHRM1 (0.33) | CHRM1ALDH1A1L3MBTL1FFAR4TSHR | |
| SCHEMBL694936 | 0.90 | CTSS (0.35) | CHRM1CTSSCHRM4SMARCA2SMARCA4 | |
| SCHEMBL694937 | 0.90 | CTSS (0.35) | CHRM1CTSSCHRM4SMARCA2SMARCA4 | |
| SCHEMBL694938 | 0.90 | CTSS (0.35) | CHRM1CTSSCHRM4SMARCA2SMARCA4 | |
| SCHEMBL695742 | 0.89 | CTSS (0.37) | CHRM1ALDH1A1FFAR4TSHRCTSS | |
| SCHEMBL696580 | 0.87 | SMO (0.36) | CHRM1ALDH1A1L3MBTL1FFAR4AGTR2 | |
| SCHEMBL15327102 | 0.87 | SMO (0.36) | CHRM1ALDH1A1L3MBTL1FFAR4AGTR2 | |
| SCHEMBL695726 | 0.87 | CTSS (0.46) | CHRM1ALDH1A1CTSS | |
| SCHEMBL696581 | 0.87 | SMO (0.36) | CHRM1ALDH1A1L3MBTL1FFAR4AGTR2 | |
| SCHEMBL695336 | 0.83 | CTSS (0.44) | CTSS |
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 |