Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.71 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.71 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.71 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.71 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.71 |
| ▸ | MAPT | P10636 | 1/20 | 0.57 |
| ▸ | AHR | P35869 | 1/20 | 0.49 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.49 |
| ▸ | KIF11 | P52732 | 4/20 | 0.47 |
| ▸ | CRBN | Q96SW2 | 2/20 | 0.44 |
| ▸ | MAOA | P21397 | 4/20 | 0.43 |
| ▸ | MAOB | P27338 | 4/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.42 |
| ▸ | BRD4 | O60885 | 1/20 | 0.41 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.41 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.41 |
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL527380 | 0.91 | MAPT (0.73) | NPC1MAPK13MAPK12MAPK11MAPK14 | |
| Bicarbonate SCHEMBL9232742 | 0.88 | NPC1 (0.85) | NPC1MAPK13MAPK12MAPK11MAPK14 | |
| Oxalic Acid SCHEMBL8183265 | 0.86 | NPC1 (0.81) | NPC1MAPK13MAPK12MAPK11MAPK14 | |
| Oxindole SCHEMBL4488236 | 0.85 | AHR (0.70) | NPC1MAPK13MAPK12MAPK11MAPK14 | |
| Oxindole SCHEMBL29921679 | 0.85 | AHR (0.70) | NPC1MAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL29365738 | 0.84 | NPC1 (1.00) | NPC1MAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL10032 | 0.84 | NPC1 (1.00) | NPC1MAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL4227502 | 0.84 | NPC1 (1.00) | NPC1MAPK13MAPK12MAPK11MAPK14 | |
| Hydrochloric Acid SCHEMBL30293252 | 0.82 | NPC1 (0.96) | NPC1MAPK13MAPK12MAPK11MAPK14 | |
| Trifluoroacetic Acid SCHEMBL3430565 | 0.81 | AHR (0.46) | NPC1MAPK13MAPK12MAPK11MAPK14 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2598500-A1 | COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY | Rigel Pharmaceuticals, Inc. (US) | 2013-06-05 | — | — | EP | claimed |
| WO-2012015972-A1 | COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY | RIGEL PHARMACEUTICALS, INC. (US) | 2012-02-02 | — | — | WO | claimed |