Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.36 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.36 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | MMP2 | P08253 | 1/20 | 0.35 |
| ▸ | ANPEP | P15144 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 3/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL695743 | 0.91 | MAPT (0.38) | TSHRUSP2NPSR1MAPTPOLB | |
| SCHEMBL694848 | 0.90 | CTSS (0.36) | TSHRUSP2NPSR1MAPTALDH1A1 | |
| SCHEMBL694698 | 0.82 | TSHR (0.42) | TSHRUSP2NPSR1MAPTPOLB | |
| SCHEMBL695727 | 0.82 | CHRM1 (0.35) | KEAP1NFE2L2SMN1; SMN2LMNAPRKG1 | |
| SCHEMBL695190 | 0.74 | HCRTR1 (0.39) | USP2MAPTALDH1A1HPGDCYP2C19 | |
| SCHEMBL695507 | 0.73 | KMT2A (0.41) | TSHRUSP2NPSR1MAPTPOLB | |
| SCHEMBL696304 | 0.71 | FKBP1A (0.39) | TSHRUSP2NPSR1MAPTPOLB | |
| SCHEMBL2106619 | 0.71 | CTSS (0.39) | TSHRALDH1A1CYP2C9MMP2ANPEP | |
| SCHEMBL695198 | 0.71 | CTSS (0.39) | TSHRALDH1A1CYP2C9MMP2ANPEP | |
| SCHEMBL695533 | 0.71 | OPRM1 (0.41) | TSHRUSP2NPSR1MAPTPOLB |
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 |