Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | XIAP | P98170 | 4/20 | 0.43 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.42 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | CTSC | P53634 | 1/20 | 0.40 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.40 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.40 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.40 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.40 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.40 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.40 |
| ▸ | LNPEP | Q9UIQ6 | 3/20 | 0.40 |
| ▸ | AGER | Q15109 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7643043 | 0.91 | LNPEP (0.42) | XIAPLNPEP | |
| SCHEMBL7644396 | 0.82 | XIAP (0.43) | XIAPLMNAMAPTS1PR1S1PR3 | |
| SCHEMBL7408066 | 0.82 | XIAP (0.55) | XIAPLMNAPOLBMAPTHTT | |
| SCHEMBL7637777 | 0.81 | ELANE (0.42) | — | |
| SCHEMBL7642937 | 0.78 | XIAP (0.43) | XIAPLMNAPOLBMAPTHTT | |
| SCHEMBL7400265 | 0.76 | FCER2 (0.41) | — | |
| Hydrochloric Acid SCHEMBL7403586 | 0.73 | RAB9A (0.41) | XIAPLMNAPOLBMAPTHTT | |
| SCHEMBL7288121 | 0.71 | CTSK (0.49) | XIAPLMNAPKMCTSCNPC1 | |
| SCHEMBL3633412 | 0.70 | HPGD (0.62) | LMNAPOLBMAPTHTTNPSR1 | |
| SCHEMBL11325003 | 0.70 | MAPK1 (0.67) | LMNAPOLBMAPTHTTCTSC |
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 |