Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.45 |
| ▸ | MMP1 | P03956 | 1/20 | 0.45 |
| ▸ | MMP3 | P08254 | 1/20 | 0.45 |
| ▸ | ELANE | P08246 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | TACR3 | P29371 | 1/20 | 0.43 |
| ▸ | ANPEP | P15144 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7645588 | 0.89 | ELANE (0.48) | ALDH1A1ELANE | |
| SCHEMBL7402496 | 0.84 | ELANE (0.44) | ATMALDH1A1THRBCYP2C9CYP2C19 | |
| SCHEMBL8043160 | 0.79 | ALDH1A1 (0.37) | ALDH1A1THRBCYP2C9CYP2C19HSD17B10 | |
| SCHEMBL7455118 | 0.79 | ELANE (0.40) | ALDH1A1THRBCYP2C9CYP2C19HSD17B10 | |
| SCHEMBL7442154 | 0.78 | CYP2C9 (0.43) | CYP2C9CYP2C19ELANE | |
| SCHEMBL7409774 | 0.78 | CTSL (0.54) | ALDH1A1ALOX15 | |
| SCHEMBL7637777 | 0.75 | ELANE (0.42) | MMP3ELANECA12CA9GAA | |
| SCHEMBL7450374 | 0.74 | CTSL (0.50) | ALDH1A1ALOX15 | |
| SCHEMBL27880853 | 0.74 | ATM (0.60) | ATMALDH1A1THRBCYP2C9CYP2C19 | |
| SCHEMBL7689866 | 0.74 | MMP1 (0.48) | ATMALDH1A1THRBCYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| US-6468977-B1 | COMPOUNDS USEFUL IN TREATMENT TREATMENT OF DISORDER AND/OR DISEASE CAUSED BY ACTIVITY OF ENZYMES SUCH AS HUMAN RHINOVIRUS 3C PROTEASE, TRANSGLUTAMINASE AND CATHEPSINS | APOTEX INC. (CA) | 2002-10-22 | — | — | US | disclosed |
| US-6162791-A | Thiadiazole compounds useful as inhibitors of cysteine activity dependent enzymes | APOTEX INC. (CA) | 2000-12-19 | — | — | US | disclosed |