Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 5/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | THRB | P10828 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | ESR1 | P03372 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | USP2 | O75604 | 2/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | SLCO1B3 | Q9NPD5 | 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 | |
|---|---|---|---|---|
| Pentachlorophenol SCHEMBL8933902 | 0.92 | MEN1 (0.57) | TSHRCYP1A2CYP2C9HPGDHSD17B10 | |
| Pentachlorophenol SCHEMBL4320916 | 0.92 | MEN1 (0.57) | TSHRCYP1A2CYP2C9HPGDHSD17B10 | |
| Ethylene Glycol SCHEMBL18784039 | 0.80 | TSHR (0.83) | TSHRHSD17B10MAPK1MEN1KMT2A | |
| Ethylene Glycol SCHEMBL30672 | 0.80 | TSHR (0.83) | TSHRHSD17B10MAPK1MEN1KMT2A | |
| Pentachlorophenol SCHEMBL8933797 | 0.79 | CYP1A2 (0.52) | TSHRCYP1A2CYP2C9HPGDHSD17B10 | |
| Ethylene Glycol SCHEMBL28253221 | 0.78 | TSHR (0.71) | TSHRHSD17B10MAPK1MEN1KMT2A | |
| Pentachlorophenol SCHEMBL23123783 | 0.78 | TSHR (0.59) | TSHRCYP1A2CYP2C9HPGDHSD17B10 | |
| Ethylene Glycol SCHEMBL4669270 | 0.78 | TSHR (0.79) | TSHRHSD17B10MAPK1MEN1KMT2A | |
| Butane SCHEMBL351283 | 0.78 | TSHR (0.79) | TSHRHSD17B10MAPK1MEN1KMT2A | |
| Ethylene Glycol SCHEMBL3929160 | 0.78 | TSHR (0.79) | TSHRHSD17B10MAPK1MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-1996026911-A1 | EXPLOSIVES USING GLYCOL STILL BOTTOMS | AN/GEL INTERNATIONAL (US) | 1996-09-06 | — | — | WO | claimed |
| US-5531843-A | INSTEAD OF FUEL OIL | ICI EXPLOSIVES USA INC. | 1996-07-02 | — | — | US | claimed |