Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMYD3 | Q9H7B4 | 2/20 | 0.40 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.40 |
| ▸ | NSD2 | O96028 | 3/20 | 0.38 |
| ▸ | SETD2 | Q9BYW2 | 2/20 | 0.38 |
| ▸ | PLA2G7 | Q13093 | 9/20 | 0.37 |
| ▸ | PPARG | P37231 | 1/20 | 0.34 |
| ▸ | PPARD | Q03181 | 1/20 | 0.34 |
| ▸ | PPARA | Q07869 | 1/20 | 0.34 |
| ▸ | PYGL | P06737 | 2/20 | 0.33 |
| ▸ | PYGM | P11217 | 2/20 | 0.33 |
| ▸ | CNR2 | P34972 | 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 | |
|---|---|---|---|---|
| SCHEMBL6839255 | 0.89 | PYGL (0.44) | SMYD3HRH4NSD2SETD2PLA2G7 | |
| SCHEMBL6838410 | 0.88 | SMYD3 (0.40) | SMYD3HRH4NSD2SETD2PLA2G7 | |
| SCHEMBL6839437 | 0.82 | DRD4 (0.50) | HRH4PYGLPYGM | |
| SCHEMBL6839037 | 0.80 | SMYD3 (0.34) | SMYD3NSD2SETD2PLA2G7 | |
| SCHEMBL6838480 | 0.80 | TBXAS1 (0.35) | SMYD3NSD2SETD2 | |
| SCHEMBL6840928 | 0.79 | GHSR (0.41) | — | |
| SCHEMBL6753481 | 0.78 | F10 (0.51) | SMYD3PYGLPYGM | |
| SCHEMBL6840639 | 0.78 | F10 (0.51) | SMYD3PYGLPYGM | |
| SCHEMBL6385242 | 0.74 | TAS1R3 (0.41) | CNR2 | |
| SCHEMBL6382292 | 0.73 | TAS1R3 (0.58) | CNR2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6759428-B2 | SUCH AS N-((1,2)-2-(((CYANO(CYCLOPROPYL)METHYL)AMINO)CARBONYL) CYCLOHEXYL)-1H-INDOLE-2-CARBOXAMIDE; CATHEPSIN K INHIBITORS | ROCHE PALO ALTO LLC | 2004-07-06 | — | — | US | disclosed |