Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PYGL | P06737 | 1/20 | 0.44 |
| ▸ | PYGM | P11217 | 1/20 | 0.44 |
| ▸ | SMYD3 | Q9H7B4 | 2/20 | 0.40 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.40 |
| ▸ | TAS1R3 | Q7RTX0 | 4/20 | 0.39 |
| ▸ | TAS1R1 | Q7RTX1 | 4/20 | 0.39 |
| ▸ | TAS1R2 | Q8TE23 | 3/20 | 0.39 |
| ▸ | NSD2 | O96028 | 1/20 | 0.38 |
| ▸ | SETD2 | Q9BYW2 | 1/20 | 0.38 |
| ▸ | PLA2G7 | Q13093 | 4/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.35 |
| ▸ | GHSR | Q92847 | 2/20 | 0.35 |
| ▸ | MAP3K5 | Q99683 | 1/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 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 | |
|---|---|---|---|---|
| SCHEMBL6839002 | 0.89 | SMYD3 (0.40) | PYGLPYGMSMYD3HRH4NSD2 | |
| SCHEMBL6838410 | 0.88 | SMYD3 (0.40) | PYGLPYGMSMYD3HRH4TAS1R3 | |
| SCHEMBL6753481 | 0.82 | F10 (0.51) | PYGLPYGMSMYD3 | |
| SCHEMBL6840639 | 0.82 | F10 (0.51) | PYGLPYGMSMYD3 | |
| SCHEMBL6382289 | 0.82 | TAS1R3 (0.58) | TAS1R3TAS1R1TAS1R2 | |
| SCHEMBL6382292 | 0.82 | TAS1R3 (0.58) | TAS1R3TAS1R1TAS1R2 | |
| SCHEMBL6839037 | 0.80 | SMYD3 (0.34) | SMYD3NSD2SETD2PLA2G7GHSR | |
| SCHEMBL6838480 | 0.80 | TBXAS1 (0.35) | SMYD3NSD2SETD2GHSR | |
| SCHEMBL6386703 | 0.79 | TAS1R3 (0.56) | TAS1R3TAS1R1TAS1R2KCNH2 | |
| SCHEMBL6386698 | 0.79 | TAS1R3 (0.56) | TAS1R3TAS1R1TAS1R2KCNH2 |
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 |