Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDH1 | O75874 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | PGR | P06401 | 1/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.35 |
| ▸ | AR | P10275 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | DRD1 | P21728 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | PDE4A | P27815 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL19235938 | 0.95 | NPC1 (0.36) | IDH1CYP3A4HIF1AHSD17B10ALDH1A1 | |
| Bisoctrizole SCHEMBL39191 | 0.82 | NPC1 (0.43) | IDH1CYP3A4HIF1AHSD17B10ALDH1A1 | |
| Bisoctrizole SCHEMBL30113083 | 0.82 | NPC1 (0.43) | IDH1CYP3A4HIF1AHSD17B10ALDH1A1 | |
| Bisoctrizole SCHEMBL5994392 | 0.82 | NPC1 (0.43) | IDH1CYP3A4HIF1AHSD17B10ALDH1A1 | |
| Bisoctrizole SCHEMBL29358089 | 0.82 | NPC1 (0.43) | IDH1CYP3A4HIF1AHSD17B10ALDH1A1 | |
| SCHEMBL9314160 | 0.79 | NPC1 (0.40) | IDH1CYP3A4HIF1AHSD17B10ALDH1A1 | |
| SCHEMBL19633285 | 0.78 | NPC1 (0.42) | IDH1CYP3A4HIF1AHSD17B10ALDH1A1 | |
| Bisoctrizole SCHEMBL28644655 | 0.78 | IDH1 (0.41) | IDH1CYP3A4HIF1AHSD17B10ALDH1A1 | |
| SCHEMBL8962738 | 0.77 | NPC1 (0.50) | IDH1CYP3A4HIF1AHSD17B10ALDH1A1 | |
| SCHEMBL14198250 | 0.77 | NPC1 (0.41) | IDH1CYP3A4HIF1AHSD17B10ALDH1A1 |
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-1874853-B2 | POLYETHER POLYOLS, POLYESTER POLYOLS AND POLYURETHANES OF LOW RESIDUAL ALDEHYDE CONTENT | BASF SE (DE) | 2012-07-04 | — | — | EP | disclosed |
| EP-1874853-B1 | POLYETHER POLYOLS, POLYESTER POLYOLS AND POLYURETHANES OF LOW RESIDUAL ALDEHYDE CONTENT | CIBA HOLDING INC (CH) | 2009-04-15 | — | — | EP | disclosed |
| EP-0754723-B1 | Synergistic stabiliser mixture | CIBA GEIGY AG (CH) | 1999-04-28 | — | — | EP | disclosed |