Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | XIAP | P98170 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.32 |
| ▸ | NPC1 | O15118 | 2/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | XDH | P47989 | 1/20 | 0.32 |
| ▸ | HSPA5 | P11021 | 1/20 | 0.31 |
| ▸ | HSPA2 | P54652 | 1/20 | 0.31 |
| ▸ | ACACB | O00763 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | MMP9 | P14780 | 1/20 | 0.31 |
| ▸ | MMP8 | P22894 | 1/20 | 0.31 |
| ▸ | MMP13 | P45452 | 1/20 | 0.31 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | CA9 | Q16790 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7400637 | 0.87 | SMN1; SMN2 (0.33) | XIAPL3MBTL1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL7408062 | 0.85 | XIAP (0.37) | XIAPL3MBTL1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL7408066 | 0.76 | XIAP (0.55) | XIAPL3MBTL1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL7637777 | 0.76 | ELANE (0.42) | MAPK8CA12CA1CA9PPARG | |
| SCHEMBL7406241 | 0.75 | L3MBTL1 (0.36) | XIAPL3MBTL1SMN1; SMN2NPC1RAB9A | |
| Hydrochloric Acid SCHEMBL7403583 | 0.74 | L3MBTL1 (0.36) | XIAPL3MBTL1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL7400265 | 0.73 | FCER2 (0.41) | — | |
| SCHEMBL7642030 | 0.73 | ELANE (0.42) | POLB | |
| SCHEMBL7644396 | 0.72 | XIAP (0.43) | XIAPSMN1; SMN2LMNA | |
| Hydrochloric Acid SCHEMBL7403586 | 0.72 | RAB9A (0.41) | XIAPL3MBTL1SMN1; SMN2NPC1RAB9A |
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 |
| CN-1291993-A | Thiadiazole compounds useful as cysteine activity dependent enzyme inhibitors | APOTEX INC (CA) | 2001-04-18 | — | — | CN | disclosed |