Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCKBR | P32239 | 2/20 | 0.57 |
| ▸ | FAAH | O00519 | 1/20 | 0.54 |
| ▸ | SSTR3 | P32745 | 1/20 | 0.54 |
| ▸ | NPC1 | O15118 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.51 |
| ▸ | HTR3A | P46098 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | DAO | P14920 | 1/20 | 0.50 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.50 |
| ▸ | PYGL | P06737 | 1/20 | 0.50 |
| ▸ | PYGM | P11217 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL5256019 | 1.00 | CCKBR (0.57) | CCKBRFAAHSSTR3NPC1LMNA | |
| SCHEMBL6834814 | 0.85 | MLLT1 (0.53) | CCKBRMLLT1CGASFLT3 | |
| SCHEMBL5258969 | 0.85 | MLLT1 (0.53) | CCKBRMLLT1CGASFLT3 | |
| SCHEMBL18280728 | 0.85 | POLB (0.56) | FAAHSSTR3NPC1LMNARAB9A | |
| SCHEMBL14565580 | 0.84 | TAS1R3 (0.52) | CCKBRFAAHSSTR3KDM4EALDH1A1 | |
| SCHEMBL5260262 | 0.84 | F10 (0.59) | PYGLPYGM | |
| SCHEMBL7067623 | 0.84 | MLLT1 (0.72) | LMNAKDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL7069488 | 0.84 | SMYD3 (0.61) | PYGLMLLT1 | |
| SCHEMBL6834302 | 0.84 | DRD4 (0.56) | CCKBRPYGLPYGMMLLT1CGAS | |
| SCHEMBL6832859 | 0.84 | MLLT1 (0.52) | CCKBRPYGLPYGMMLLT1FLT3 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1315806-C | Substituted 2-amino-cycloalkanecarboxamides and their use as cysteine protease inhibitors | HOFFMANN LA ROCHE (CH) | 2007-05-16 | — | — | CN | disclosed |
| CN-1639119-A | Substituted 2-amino-cycloalkanecarboxamides and their use as cysteine protease inhibitors | HOFFMANN LA ROCHE (CH) | 2005-07-13 | — | — | CN | disclosed |