Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL136233 | 0.97 | — | — | |
| Ethyl Chloride SCHEMBL4775177 | 0.86 | TSHR (0.33) | TSHRTDP1ALDH1A1 | |
| SCHEMBL43809 | 0.82 | — | — | |
| SCHEMBL9117801 | 0.82 | ALDH1A1 (0.36) | TSHRTDP1ALDH1A1 | |
| SCHEMBL539265 | 0.80 | — | — | |
| Water SCHEMBL23801211 | 0.78 | ALDH1A1 (0.33) | TSHRTDP1ALDH1A1 | |
| SCHEMBL384755 | 0.78 | ALDH1A1 (0.33) | TSHRTDP1ALDH1A1 | |
| SCHEMBL11173104 | 0.78 | ALDH1A1 (0.33) | TSHRTDP1ALDH1A1 | |
| SCHEMBL9183806 | 0.78 | ALDH1A1 (0.42) | TSHRTDP1ALDH1A1CYP3A4HSD17B10 | |
| SCHEMBL1867473 | 0.78 | ALDH1A1 (0.42) | TSHRTDP1ALDH1A1CYP3A4HSD17B10 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1899022-B1 | METHOD OF DETOXICATION OF YPERITE BY USING HALOALKANE DEHALOGENASES | UNIV MASARYKOVA (CZ) | 2013-10-09 | — | — | EP | disclosed |
| US-7888103-B2 | Using dehalogenase to remove sulfur mustards for soil, military equipment and/or water; bioremediation | MASARYKOVA UNIVERZITA (CZ) | 2011-02-15 | — | — | US | disclosed |
| US-20080248557-A1 | Method of Detoxication of Yperite by Using Haloalkane Dehalogenases | MASARYKOVA UNIVERZITA (CZ) | 2008-10-09 | — | — | US | disclosed |
| EP-1899022-A1 | METHOD OF DETOXICATION OF YPERITE BY USING HALOALKANE DEHALOGENASES | Masarykova univerzita (CS) | 2008-03-19 | — | — | EP | disclosed |
| WO-2006128390-A1 | METHOD OF DETOXICATION OF YPERITE BY USING HALOALKANE DEHALOGENASES | MASARYKOVA UNIVERZITA (CZ) | 2006-12-07 | — | — | WO | disclosed |