Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GHSR | Q92847 | 1/20 | 0.38 |
| ▸ | MLLT1 | Q03111 | 1/20 | 0.37 |
| ▸ | CNR1 | P21554 | 1/20 | 0.35 |
| ▸ | ACKR3 | P25106 | 8/20 | 0.34 |
| ▸ | CTSK | P43235 | 5/20 | 0.34 |
| ▸ | CTSB | P07858 | 3/20 | 0.34 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.34 |
| ▸ | CTSS | P25774 | 1/20 | 0.33 |
| ▸ | TACR1 | P25103 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6840849 | 1.00 | GHSR (0.38) | GHSRMLLT1CNR1ACKR3CTSK | |
| SCHEMBL6838498 | 0.85 | MLLT1 (0.56) | GHSRMLLT1CNR1CTSKCTSB | |
| SCHEMBL5254519 | 0.85 | MLLT1 (0.56) | GHSRMLLT1CNR1CTSKCTSB | |
| SCHEMBL5256293 | 0.83 | GHSR (0.37) | GHSRMLLT1CNR1SLC2A1 | |
| SCHEMBL6832313 | 0.81 | MLLT1 (0.46) | GHSRMLLT1CNR1ACKR3SLC2A1 | |
| SCHEMBL5255075 | 0.81 | MLLT1 (0.46) | GHSRMLLT1CNR1ACKR3SLC2A1 | |
| SCHEMBL6834251 | 0.81 | CTSS (0.41) | CTSKCTSBCTSS | |
| SCHEMBL5259094 | 0.81 | CTSS (0.41) | CTSKCTSBCTSS | |
| SCHEMBL5262041 | 0.81 | CTSS (0.41) | CTSKCTSBCTSS | |
| SCHEMBL5255166 | 0.80 | FAAH (0.43) | CTSKCTSSTACR1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1453801-B1 | SUBSTITUTED 2-AMINO-CYCLOALKANECARBOXAMIDES AND THEIR USE AS CYSTEINE PROTEASE INHIBITORS | HOFFMANN LA ROCHE (CH) | 2007-03-21 | — | — | EP | disclosed |
| 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 |
| US-6747053-B2 | Heteroaryl nitriles | ROCHE PALO ALTO LLC | 2004-06-08 | — | — | US | disclosed |