Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.52 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.52 |
| ▸ | HPGD | P15428 | 2/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| Ether SCHEMBL11311505 | 0.85 | TSHR (0.42) | CYP1A2CYP2C9HIF1AHPGDHSD17B10 | |
| Pentachlorophenol SCHEMBL6840640 | 0.82 | TSHR (0.71) | CYP1A2CYP2C9HIF1AHPGDHSD17B10 | |
| Pentachlorophenol SCHEMBL18525333 | 0.79 | TSHR (0.67) | CYP1A2CYP2C9HIF1AHPGDHSD17B10 | |
| Perchlorobenzene SCHEMBL29156007 | 0.79 | ALDH1A1 (0.35) | ALDH1A1 | |
| Pentachlorophenol SCHEMBL8933811 | 0.79 | TSHR (0.56) | CYP1A2CYP2C9HIF1AHPGDHSD17B10 | |
| Ether SCHEMBL11081 | 0.76 | — | — | |
| Ether SCHEMBL188032 | 0.76 | ALDH1A1 (0.62) | HSD17B10MAPK1TSHRALDH1A1MEN1 | |
| Pentachlorophenol SCHEMBL4320916 | 0.76 | MEN1 (0.57) | CYP1A2CYP2C9HIF1AHPGDHSD17B10 | |
| Ether SCHEMBL8943279 | 0.76 | ALDH1A1 (0.62) | HSD17B10MAPK1TSHRALDH1A1MEN1 | |
| Ether SCHEMBL10536028 | 0.76 | ALDH1A1 (0.62) | HSD17B10MAPK1TSHRALDH1A1MEN1 |
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 |