Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | BCHE | P06276 | 3/20 | 0.50 |
| ▸ | ACHE | P22303 | 2/20 | 0.50 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.48 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.47 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.43 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.43 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.43 |
| ▸ | KDM2B | Q8NHM5 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | CCR5 | P51681 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL4283767 | 0.85 | HRH3 (0.56) | ALDH1A1SIGMAR1HRH3KDM4E | |
| SCHEMBL27483444 | 0.80 | SIGMAR1 (0.48) | ALDH1A1BCHEACHESIGMAR1CHRM2 | |
| SCHEMBL19717823 | 0.78 | HRH3 (0.46) | BCHEACHESIGMAR1HRH3CHRM2 | |
| SCHEMBL40182 | 0.76 | SIGMAR1 (0.54) | SIGMAR1 | |
| SCHEMBL40181 | 0.76 | SIGMAR1 (0.54) | SIGMAR1 | |
| SCHEMBL7367495 | 0.75 | ALDH1A1 (0.58) | ALDH1A1SIGMAR1 | |
| SCHEMBL25180826 | 0.74 | SIGMAR1 (0.49) | BCHEACHESIGMAR1CHRM2CHRM5 | |
| SCHEMBL31697957 | 0.73 | ALDH1A1 (0.53) | ALDH1A1SIGMAR1 | |
| SCHEMBL40124 | 0.73 | FKBP1A (0.53) | ALDH1A1SIGMAR1 | |
| SCHEMBL40125 | 0.73 | FKBP1A (0.53) | ALDH1A1SIGMAR1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1171870-C | Cysteine protease inhibitors | ʷ��˿�������ȳ�ķ����˾ | 2004-10-20 | — | — | CN | claimed |
| CN-1171870-C | Cysteine protease inhibitors | ʷ��˿�������ȳ�ķ����˾ | 2004-10-20 | — | — | CN | disclosed |
| CN-1232399-A | Cysteine protease inhibitors | SMITHKLINE BEECHAM CORP (US) | 1999-10-20 | — | — | CN | disclosed |