Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | AADAT | Q8N5Z0 | 1/20 | 0.35 |
| ▸ | CFTR | P13569 | 1/20 | 0.35 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.34 |
| ▸ | SPR | P35270 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | CTSS | P25774 | 4/20 | 0.34 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.33 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL694457 | 0.93 | AADAT (0.36) | TSHRMAPTAADATCHRM4HSD11B1 | |
| SCHEMBL696136 | 0.92 | AADAT (0.39) | TSHRMAPTAADATCHRM4HSD11B1 | |
| SCHEMBL695720 | 0.91 | CTSS (0.37) | TSHRAADATCHRM4HSD11B1SPR | |
| SCHEMBL3725935 | 0.88 | P2RX7 (0.43) | MAPTCFTRHSD11B1KMT2AP2RX7 | |
| SCHEMBL696304 | 0.83 | FKBP1A (0.39) | TSHRMAPTAADATCHRM4HSD11B1 | |
| SCHEMBL3718383 | 0.83 | CTSS (0.36) | HSD11B1ALDH1A1CTSSKMT2AP2RX7 | |
| SCHEMBL695533 | 0.82 | OPRM1 (0.41) | TSHRMAPTAADATCHRM4HSD11B1 | |
| SCHEMBL3723608 | 0.82 | RORC (0.38) | HSD11B1CTSSP2RX7 | |
| SCHEMBL694889 | 0.81 | P2RX7 (0.40) | MAPTHSD11B1CTSSAKR1C3KMT2A | |
| SCHEMBL696119 | 0.80 | HSD11B1 (0.41) | CFTRHSD11B1CTSSKMT2AP2RX7 |
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 |