Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.57 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.57 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.57 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | FLT1 | P17948 | 1/20 | 0.47 |
| ▸ | FLT4 | P35916 | 1/20 | 0.47 |
| ▸ | KDR | P35968 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | CA12 | O43570 | 2/20 | 0.44 |
| ▸ | CA1 | P00915 | 2/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | CA3 | P07451 | 2/20 | 0.44 |
| ▸ | CA4 | P22748 | 2/20 | 0.44 |
| ▸ | CA6 | P23280 | 2/20 | 0.44 |
| ▸ | CA5A | P35218 | 2/20 | 0.44 |
| ▸ | CA7 | P43166 | 2/20 | 0.44 |
| ▸ | CA9 | Q16790 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL2035701 | 0.92 | TSHR (0.50) | ALDH1A1MAPK1HSD17B10MAPTTSHR | |
| SCHEMBL67558 | 0.82 | ALDH1A1 (0.65) | ALDH1A1MAPK1HSD17B10NPC1CYP3A4 | |
| SCHEMBL96393 | 0.80 | — | — | |
| Fluoride SCHEMBL895300 | 0.78 | CYP1A2 (0.55) | ALDH1A1MAPK1HSD17B10MAPTNPC1 | |
| SCHEMBL8158436 | 0.78 | CYP1A2 (0.55) | ALDH1A1MAPK1HSD17B10MAPTNPC1 | |
| SCHEMBL995084 | 0.76 | ALDH1A1 (0.56) | ALDH1A1MAPK1HSD17B10CYP3A4CA12 | |
| SCHEMBL8664114 | 0.74 | ALDH1A1 (0.68) | ALDH1A1MAPTNPC1TSHRSMN1; SMN2 | |
| SCHEMBL22815615 | 0.73 | RAB9A (0.52) | ALDH1A1MAPK1HSD17B10MAPTNPC1 | |
| SCHEMBL2263715 | 0.73 | ALDH1A1 (0.52) | ALDH1A1MAPK1HSD17B10MAPTCYP3A4 | |
| SCHEMBL8779793 | 0.73 | ALDH1A1 (0.52) | ALDH1A1MAPK1HSD17B10MAPTNPC1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5811571-A | HALOGENATING AN AROMATIC OR HETEROAROMATIC METHYL SULFIDE OR METHYL SULFOXIDE IN PRESENCE OF WATER | SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) | 1998-09-22 | — | — | US | disclosed |