Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | NPR3 | P17342 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | ELANE | P08246 | 6/20 | 0.41 |
| ▸ | TAS1R3 | Q7RTX0 | 10/20 | 0.39 |
| ▸ | TAS1R1 | Q7RTX1 | 10/20 | 0.39 |
| ▸ | CXCR2 | P25025 | 1/20 | 0.36 |
| ▸ | CX3CR1 | P49238 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7637979 | 0.86 | NPC1 (0.31) | CYP2C9CYP2C19 | |
| SCHEMBL7636852 | 0.81 | FPR2 (0.34) | — | |
| SCHEMBL7640967 | 0.78 | ATM (0.47) | CYP2C9CYP2C19ELANE | |
| SCHEMBL7404249 | 0.77 | ACE (0.42) | — | |
| SCHEMBL7646534 | 0.77 | PEPD (0.39) | — | |
| SCHEMBL7455524 | 0.76 | ALDH1A1 (0.46) | — | |
| SCHEMBL7445911 | 0.75 | ALDH1A1 (0.43) | — | |
| SCHEMBL8044575 | 0.71 | CAPN1 (0.41) | — | |
| SCHEMBL8044571 | 0.71 | ANPEP (0.41) | — | |
| SCHEMBL4700044 | 0.69 | TAS1R3 (0.40) | CYP2C9NPR3CYP2C19ELANETAS1R3 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| EP-1058690-A1 | THIADIAZOLE COMPOUNDS USEFUL AS INHIBITORS OF CYSTEINE ACTIVITY DEPENDENT ENZYMES | APOTEX INC. (CA) | 2000-12-13 | — | — | EP | disclosed |
| WO-1999045027-A1 | THIADIAZOLE COMPOUNDS USEFUL AS INHIBITORS OF CYSTEINE ACTIVITY DEPENDENT ENZYMES | APOTEX INC. (CA) | 1999-09-10 | — | — | WO | disclosed |