Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR2 | P34972 | 1/20 | 0.45 |
| ▸ | ADORA3 | P0DMS8 | 5/20 | 0.44 |
| ▸ | TP53 | P04637 | 2/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | CASP1 | P29466 | 1/20 | 0.44 |
| ▸ | CASP7 | P55210 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.43 |
| ▸ | NPC1 | O15118 | 5/20 | 0.43 |
| ▸ | RAB9A | P51151 | 5/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | ACE | P12821 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
| ▸ | FPR3 | P25089 | 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 | |
|---|---|---|---|---|
| SCHEMBL28746793 | 1.00 | CNR2 (0.45) | CNR2ADORA3TP53ALOX15MAPK1 | |
| SCHEMBL7400095 | 0.92 | ACE (0.51) | CNR2ADORA3TP53ALOX15MAPK1 | |
| SCHEMBL7642022 | 0.85 | PEPD (0.39) | CNR2SMN1; SMN2RAB9AMEN1KMT2A | |
| SCHEMBL27554019 | 0.85 | PEPD (0.39) | CNR2SMN1; SMN2RAB9AMEN1KMT2A | |
| SCHEMBL7646534 | 0.84 | PEPD (0.39) | CNR2SMN1; SMN2RAB9AMEN1KMT2A | |
| SCHEMBL7640465 | 0.83 | PEPD (0.38) | CNR2SMN1; SMN2RAB9AMEN1KMT2A | |
| SCHEMBL27556964 | 0.83 | PEPD (0.38) | CNR2SMN1; SMN2RAB9AMEN1KMT2A | |
| SCHEMBL7546728 | 0.81 | ACE (0.38) | CNR2NPC1RAB9AACEHTT | |
| SCHEMBL27569196 | 0.81 | ACE (0.38) | CNR2NPC1RAB9AACEHTT | |
| SCHEMBL7598645 | 0.79 | ALDH1A1 (0.46) | MAPK1HSD17B10SMN1; SMN2NPC1LMNA |
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 3 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 |
| CN-1291993-A | Thiadiazole compounds useful as cysteine activity dependent enzyme inhibitors | APOTEX INC (CA) | 2001-04-18 | — | — | CN | disclosed |
| US-6162791-A | Thiadiazole compounds useful as inhibitors of cysteine activity dependent enzymes | APOTEX INC. (CA) | 2000-12-19 | — | — | US | disclosed |