Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LEF1 | Q9UJU2 | 1/20 | 0.46 |
| ▸ | MLLT1 | Q03111 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | PYGL | P06737 | 3/20 | 0.35 |
| ▸ | CTSS | P25774 | 1/20 | 0.35 |
| ▸ | CTSK | P43235 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | F11 | P03951 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | F10 | P00742 | 7/20 | 0.33 |
| ▸ | F2 | P00734 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | PRNP | P04156 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL5261804 | 1.00 | LEF1 (0.46) | LEF1MLLT1MAOAMAOBPYGL | |
| SCHEMBL6838618 | 0.88 | MLLT1 (0.40) | MLLT1MAOAMAOBPYGLCTSS | |
| SCHEMBL6838615 | 0.88 | MLLT1 (0.40) | MLLT1MAOAMAOBPYGLCTSS | |
| SCHEMBL5255124 | 0.88 | MLLT1 (0.40) | MLLT1MAOAMAOBPYGLCTSS | |
| SCHEMBL6839388 | 0.83 | MLLT1 (0.42) | MLLT1PYGLCTSSCTSKF10 | |
| SCHEMBL5254556 | 0.83 | MLLT1 (0.42) | MLLT1PYGLCTSSCTSKF10 | |
| SCHEMBL6832182 | 0.82 | MLLT1 (0.36) | MLLT1PYGLCTSSCTSKF10 | |
| SCHEMBL6832181 | 0.82 | MLLT1 (0.36) | MLLT1PYGLCTSSCTSKF10 | |
| SCHEMBL6838498 | 0.82 | MLLT1 (0.56) | MLLT1PYGLCTSKKDM4ENPC1 | |
| SCHEMBL5254519 | 0.82 | MLLT1 (0.56) | MLLT1PYGLCTSKKDM4ENPC1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1453801-B1 | SUBSTITUTED 2-AMINO-CYCLOALKANECARBOXAMIDES AND THEIR USE AS CYSTEINE PROTEASE INHIBITORS | HOFFMANN LA ROCHE (CH) | 2007-03-21 | — | — | EP | disclosed |