Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.66 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | MBTD1 | Q05BQ5 | 1/20 | 0.43 |
| ▸ | L3MBTL3 | Q96JM7 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | PARP1 | P09874 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | NCF1 | P14598 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6559974 | 0.97 | ALDH1A1 (0.61) | ALDH1A1HRH3LMNAHRH4KDM4E | |
| SCHEMBL6557554 | 0.90 | ALDH1A1 (0.55) | ALDH1A1HRH3LMNAKDM4ECYP2D6 | |
| SCHEMBL1366467 | 0.85 | L3MBTL1 (0.54) | HRH3LMNAHRH4L3MBTL1CYP2D6 | |
| SCHEMBL54966 | 0.82 | ALDH1A1 (0.96) | ALDH1A1HRH3LMNAHRH4KDM4E | |
| SCHEMBL15500352 | 0.80 | TNIK (0.50) | ALDH1A1HRH3LMNAHRH4KDM4E | |
| SCHEMBL3156543 | 0.80 | ALDH1A1 (1.00) | ALDH1A1HRH3LMNAHRH4KDM4E | |
| Hydrochloric Acid SCHEMBL5529448 | 0.80 | ALDH1A1 (0.92) | ALDH1A1HRH3LMNAHRH4KDM4E | |
| SCHEMBL62541 | 0.80 | ALDH1A1 (1.00) | ALDH1A1HRH3LMNAHRH4KDM4E | |
| SCHEMBL10616916 | 0.80 | ALDH1A1 (1.00) | ALDH1A1HRH3LMNAHRH4KDM4E | |
| Hydrochloric Acid SCHEMBL5521932 | 0.80 | ALDH1A1 (0.92) | ALDH1A1HRH3LMNAHRH4KDM4E |
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 4 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 |
| EP-1436255-A1 | NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS | Aventis Pharmaceuticals, Inc. (US) | 2004-07-14 | — | — | EP | disclosed |
| WO-2003024924-A1 | NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS | AVENTIS PHARMACEUTICALS INC. (US) | 2003-03-27 | — | — | WO | disclosed |