Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.61 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.46 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | PARP1 | P09874 | 1/20 | 0.40 |
| ▸ | CXCR4 | P61073 | 2/20 | 0.40 |
| ▸ | MBTD1 | Q05BQ5 | 1/20 | 0.40 |
| ▸ | L3MBTL3 | Q96JM7 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | HTR6 | P50406 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6557748 | 0.97 | ALDH1A1 (0.66) | ALDH1A1LMNAHRH3HRH4HDAC1 | |
| SCHEMBL6557554 | 0.90 | ALDH1A1 (0.55) | ALDH1A1LMNAHRH3KDM4ESIGMAR1 | |
| SCHEMBL15500352 | 0.83 | TNIK (0.50) | ALDH1A1LMNAHRH3HRH4HDAC1 | |
| SCHEMBL568477 | 0.83 | SIGMAR1 (0.53) | ALDH1A1HDAC1HDAC6L3MBTL1SIGMAR1 | |
| Hydrochloric Acid SCHEMBL1243957 | 0.81 | SIGMAR1 (0.52) | ALDH1A1HDAC1HDAC6L3MBTL1SIGMAR1 | |
| SCHEMBL1366467 | 0.81 | L3MBTL1 (0.54) | LMNAHRH3HRH4CXCR4L3MBTL1 | |
| Hydrochloric Acid SCHEMBL2346749 | 0.80 | SIGMAR1 (0.50) | ALDH1A1HDAC1HDAC6L3MBTL1SIGMAR1 | |
| Hydrogen Peroxide SCHEMBL27308227 | 0.80 | SIGMAR1 (0.50) | ALDH1A1HRH3HDAC1HDAC6L3MBTL1 | |
| Hydrochloric Acid SCHEMBL16760314 | 0.80 | SIGMAR1 (0.50) | ALDH1A1HDAC1HDAC6L3MBTL1SIGMAR1 | |
| SCHEMBL17465265 | 0.80 | SIGMAR1 (0.47) | ALDH1A1LMNAHRH3HDAC1HDAC6 |
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-1436255-A1 | NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS | Aventis Pharmaceuticals, Inc. (US) | 2004-07-14 | — | — | EP | claimed |
| WO-2003024924-A1 | NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS | AVENTIS PHARMACEUTICALS INC. (US) | 2003-03-27 | — | — | WO | claimed |