Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.50 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.50 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.50 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | AHR | P35869 | 1/20 | 0.42 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.42 |
| ▸ | PLCG1 | P19174 | 1/20 | 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 |
| ▸ | DDB1 | Q16531 | 4/20 | 0.35 |
| ▸ | CRBN | Q96SW2 | 4/20 | 0.35 |
| ▸ | MAOA | P21397 | 2/20 | 0.35 |
| ▸ | MAOB | P27338 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.34 |
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 | 0.80 | AHR (0.45) | NPC1MAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL6441946 | 0.77 | AHR (0.50) | NPC1MAPTAHRDDB1CRBN | |
| SCHEMBL6440085 | 0.69 | AHR (0.42) | NPC1MAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL2519570 | 0.68 | GABRA1 (0.42) | NPC1MAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL160160 | 0.67 | MEN1 (0.36) | NPC1MAPTALDH1A1 | |
| SCHEMBL10032 | 0.67 | NPC1 (1.00) | NPC1MAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL4227502 | 0.67 | NPC1 (1.00) | NPC1MAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL29365738 | 0.67 | NPC1 (1.00) | NPC1MAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL4071447 | 0.65 | NPC1 (0.55) | NPC1MAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL1148865 | 0.65 | MAOA (0.42) | NPC1MAPTPLCG1MAOAMAOB |
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 |