Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AGTR2 | P50052 | 3/20 | 0.49 |
| ▸ | SMYD3 | Q9H7B4 | 2/20 | 0.41 |
| ▸ | KCNJ6 | P48051 | 3/20 | 0.37 |
| ▸ | KCNJ5 | P48544 | 3/20 | 0.37 |
| ▸ | KCNJ3 | P48549 | 3/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | SMO | Q99835 | 1/20 | 0.35 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.35 |
| ▸ | MGLL | Q99685 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | BRD4 | O60885 | 1/20 | 0.34 |
| ▸ | TAS2R14 | Q9NYV8 | 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 | |
|---|---|---|---|---|
| SCHEMBL695013 | 1.00 | AGTR2 (0.49) | AGTR2SMYD3KCNJ6KCNJ5KCNJ3 | |
| SCHEMBL696053 | 0.92 | AGTR2 (0.41) | AGTR2SMYD3NPC1RAB9ASMO | |
| SCHEMBL697524 | 0.91 | AGTR2 (0.43) | AGTR2SMYD3KCNJ6KCNJ5KCNJ3 | |
| SCHEMBL697523 | 0.91 | AGTR2 (0.43) | AGTR2SMYD3KCNJ6KCNJ5KCNJ3 | |
| SCHEMBL697525 | 0.91 | AGTR2 (0.43) | AGTR2SMYD3KCNJ6KCNJ5KCNJ3 | |
| SCHEMBL696201 | 0.87 | AGTR2 (0.53) | AGTR2SMYD3KCNJ6KCNJ5KCNJ3 | |
| SCHEMBL696202 | 0.87 | AGTR2 (0.53) | AGTR2SMYD3KCNJ6KCNJ5KCNJ3 | |
| SCHEMBL696510 | 0.85 | KCNJ6 (0.34) | AGTR2KCNJ6KCNJ5KCNJ3SMO | |
| SCHEMBL694968 | 0.84 | CTSS (0.44) | — | |
| SCHEMBL2609234 | 0.84 | CTSS (0.44) | — |
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 |