Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | CPT2 | P23786 | 1/20 | 0.37 |
| ▸ | CPT1A | P50416 | 1/20 | 0.37 |
| ▸ | SLC27A1 | Q6PCB7 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL7404355 | 0.93 | ALDH1A1 (0.47) | ALDH1A1KDM4ENPSR1HSD17B10LMNA | |
| SCHEMBL7404341 | 0.93 | ALDH1A1 (0.47) | ALDH1A1KDM4ENPSR1HSD17B10LMNA | |
| SCHEMBL7640465 | 0.79 | PEPD (0.38) | ALDH1A1LMNATSHRSMN1; SMN2 | |
| SCHEMBL27556964 | 0.79 | PEPD (0.38) | ALDH1A1LMNATSHRSMN1; SMN2 | |
| SCHEMBL28746793 | 0.79 | CNR2 (0.45) | HSD17B10NPC1MAPK1MAPTLMNA | |
| SCHEMBL7644398 | 0.79 | CNR2 (0.45) | HSD17B10NPC1MAPK1MAPTLMNA | |
| SCHEMBL7642022 | 0.77 | PEPD (0.39) | LMNATSHRSMN1; SMN2 | |
| SCHEMBL27554019 | 0.77 | PEPD (0.39) | LMNATSHRSMN1; SMN2 | |
| SCHEMBL7646534 | 0.76 | PEPD (0.39) | LMNATSHRSMN1; SMN2 | |
| SCHEMBL7546728 | 0.74 | ACE (0.38) | NPC1TSHR |
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 |