Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AGTR2 | P50052 | 1/20 | 0.46 |
| ▸ | SMYD3 | Q9H7B4 | 2/20 | 0.41 |
| ▸ | KCNJ6 | P48051 | 3/20 | 0.39 |
| ▸ | KCNJ5 | P48544 | 3/20 | 0.39 |
| ▸ | KCNJ3 | P48549 | 3/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | CTSS | P25774 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL696092 | 1.00 | AGTR2 (0.46) | AGTR2SMYD3KCNJ6KCNJ5KCNJ3 | |
| SCHEMBL696094 | 1.00 | AGTR2 (0.46) | AGTR2SMYD3KCNJ6KCNJ5KCNJ3 | |
| SCHEMBL695636 | 0.92 | AGTR2 (0.38) | AGTR2SMYD3RAB9ACTSSALDH1A1 | |
| SCHEMBL2106353 | 0.92 | AGTR2 (0.38) | AGTR2SMYD3RAB9ACTSSALDH1A1 | |
| SCHEMBL696201 | 0.90 | AGTR2 (0.53) | AGTR2SMYD3KCNJ6KCNJ5KCNJ3 | |
| SCHEMBL696202 | 0.90 | AGTR2 (0.53) | AGTR2SMYD3KCNJ6KCNJ5KCNJ3 | |
| SCHEMBL694626 | 0.88 | CTSS (0.52) | AGTR2SMYD3KCNJ6KCNJ5KCNJ3 | |
| SCHEMBL697523 | 0.88 | AGTR2 (0.43) | AGTR2SMYD3KCNJ6KCNJ5KCNJ3 | |
| SCHEMBL694624 | 0.88 | CTSS (0.52) | AGTR2SMYD3KCNJ6KCNJ5KCNJ3 | |
| SCHEMBL694625 | 0.88 | CTSS (0.52) | AGTR2SMYD3KCNJ6KCNJ5KCNJ3 |
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 |