Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AADAT | Q8N5Z0 | 1/20 | 0.36 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.35 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | CTSS | P25774 | 1/20 | 0.35 |
| ▸ | OPRL1 | P41146 | 3/20 | 0.35 |
| ▸ | OGFRL1 | Q5TC84 | 3/20 | 0.35 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.35 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.34 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.34 |
| ▸ | ITGAV | P06756 | 1/20 | 0.34 |
| ▸ | ITGA5 | P08648 | 1/20 | 0.34 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.34 |
| ▸ | PTGDR2 | Q9Y5Y4 | 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 | |
|---|---|---|---|---|
| SCHEMBL696136 | 0.97 | AADAT (0.39) | AADATCHRM4TSHRHSD11B1AKR1C3 | |
| SCHEMBL690481 | 0.93 | TSHR (0.36) | AADATCHRM4TSHRHSD11B1AKR1C3 | |
| SCHEMBL696304 | 0.90 | FKBP1A (0.39) | AADATCHRM4TSHRHSD11B1MAPT | |
| SCHEMBL695533 | 0.87 | OPRM1 (0.41) | AADATCHRM4TSHRHSD11B1MAPT | |
| SCHEMBL694889 | 0.87 | P2RX7 (0.40) | HSD11B1AKR1C3MAPTCTSS | |
| SCHEMBL697204 | 0.86 | KEAP1 (0.37) | TSHRKEAP1 | |
| SCHEMBL695720 | 0.83 | CTSS (0.37) | AADATCHRM4TSHRHSD11B1USP2 | |
| SCHEMBL696225 | 0.82 | KMT2A (0.37) | MAPT | |
| SCHEMBL695528 | 0.82 | CCR4 (0.36) | CHRM4KEAP1 | |
| SCHEMBL3719493 | 0.82 | CTSS (0.37) | HSD11B1NPSR1CTSSKEAP1 |
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 |