Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SHBG | P04278 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | PGR | P06401 | 1/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.34 |
| ▸ | AR | P10275 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | DRD1 | P21728 | 1/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | PDE4A | P27815 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | CASP1 | P29466 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 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 | |
|---|---|---|---|---|
| SCHEMBL9515201 | 0.83 | SHBG (0.37) | SHBGCYP3A4CYP2D6HIF1ASMN1; SMN2 | |
| SCHEMBL30177009 | 0.80 | ALDH1A1 (0.38) | MEN1MAPTKMT2ALMNAGAA | |
| SCHEMBL669017 | 0.80 | ALDH1A1 (0.38) | MEN1MAPTKMT2ALMNAGAA | |
| SCHEMBL10583715 | 0.80 | SHBG (0.34) | SHBGCYP3A4CYP2D6HIF1ASMN1; SMN2 | |
| SCHEMBL18542709 | 0.77 | TSHR (0.32) | — | |
| SCHEMBL11801822 | 0.75 | SHBG (0.43) | SHBGCYP3A4CYP2D6HIF1ASMN1; SMN2 | |
| SCHEMBL824687 | 0.71 | CNR2 (0.35) | SHBGCYP3A4CYP2D6HIF1ASMN1; SMN2 | |
| SCHEMBL7559048 | 0.70 | BACE1 (0.46) | KCNH2CNR2 | |
| SCHEMBL21346938 | 0.69 | SHBG (0.44) | SHBGCYP3A4CYP2D6HIF1ASMN1; SMN2 | |
| SCHEMBL23621466 | 0.68 | ESR1 (0.34) | ESR1KCNH2CNR1CNR2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2002068434-A1 | NOVEL DIPHOSPHINES AND A METHOD FOR THEIR PRODUCTION | CELANESE CHEMICALS EUROPE GMBH (DE) | 2002-09-06 | — | — | WO | disclosed |