Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MLLT1 | Q03111 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 2/20 | 0.39 |
| ▸ | MAOB | P27338 | 2/20 | 0.39 |
| ▸ | PYGL | P06737 | 5/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | CTSS | P25774 | 1/20 | 0.36 |
| ▸ | CTSK | P43235 | 1/20 | 0.36 |
| ▸ | F11 | P03951 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.36 |
| ▸ | NHERF1 | O14745 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | GHSR | Q92847 | 4/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL6838615 | 1.00 | MLLT1 (0.40) | MLLT1MAOAMAOBPYGLTP53 | |
| SCHEMBL6838618 | 1.00 | MLLT1 (0.40) | MLLT1MAOAMAOBPYGLTP53 | |
| SCHEMBL5305855 | 0.93 | F10 (0.36) | MLLT1PYGLCTSSCTSKNPC1 | |
| SCHEMBL5261807 | 0.88 | LEF1 (0.46) | MLLT1MAOAMAOBPYGLTP53 | |
| SCHEMBL5261804 | 0.88 | LEF1 (0.46) | MLLT1MAOAMAOBPYGLTP53 | |
| SCHEMBL6839388 | 0.88 | MLLT1 (0.42) | MLLT1PYGLCTSSCTSKGHSR | |
| SCHEMBL5254556 | 0.88 | MLLT1 (0.42) | MLLT1PYGLCTSSCTSKGHSR | |
| SCHEMBL5254519 | 0.87 | MLLT1 (0.56) | MLLT1PYGLCTSKNPC1RAB9A | |
| SCHEMBL5259539 | 0.87 | SMYD3 (0.48) | PYGL | |
| SCHEMBL5257174 | 0.87 | MLLT1 (0.41) | MLLT1PYGLPOLBCTSSCTSK |
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-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 |