Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 1/20 | 0.42 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.42 |
| ▸ | PLCG1 | P19174 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.41 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.41 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.41 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | BRD4 | O60885 | 7/20 | 0.37 |
| ▸ | CREBBP | Q92793 | 7/20 | 0.37 |
| ▸ | EP300 | Q09472 | 1/20 | 0.37 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.33 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1973489 | 0.72 | AHR (0.45) | AHRPDK2PLCG1NPC1MAPK13 | |
| SCHEMBL6441774 | 0.69 | NPC1 (0.50) | AHRPDK2PLCG1NPC1MAPK13 | |
| SCHEMBL2519570 | 0.68 | GABRA1 (0.42) | AHRPDK2PLCG1NPC1MAPK13 | |
| SCHEMBL151990 | 0.67 | GAA (0.31) | HSD17B10 | |
| SCHEMBL1973487 | 0.65 | AHR (0.47) | AHRPDK2PLCG1NPC1MAPK13 | |
| SCHEMBL6379887 | 0.65 | AHR (0.70) | AHRPDK2PLCG1NPC1MAPK13 | |
| SCHEMBL1235044 | 0.65 | AHR (0.70) | AHRPDK2PLCG1NPC1MAPK13 | |
| SCHEMBL29510715 | 0.65 | AHR (0.70) | AHRPDK2PLCG1NPC1MAPK13 | |
| SCHEMBL302509 | 0.64 | MAOA (0.37) | AHRPDK2PLCG1NPC1MAPK13 | |
| SCHEMBL29246 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1286673-B8 | LIGANDS OF INTEGRIN RECEPTORS | ABBOTT GMBH & CO KG (DE) | 2005-07-20 | — | — | EP | disclosed |
| EP-1286673-A2 | LIGANDS OF INTEGRIN RECEPTORS | Basf Aktiengesellschaft (DE) | 2003-03-05 | — | — | EP | disclosed |
| WO-2001093840-A2 | LIGANDS OF INTEGRIN RECEPTORS | BASF AG (DE) | 2001-12-13 | — | — | WO | disclosed |