Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | SLC22A12 | Q96S37 | 5/20 | 0.36 |
| ▸ | KDM4C | Q9H3R0 | 3/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | MITF | O75030 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | KDM6B | O15054 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL16611699 | 0.85 | HSD17B10 (0.49) | HSD17B10ALDH1A1SIRT3TDP1CA12 | |
| Hydrochloric Acid SCHEMBL16612069 | 0.83 | HSD17B10 (0.48) | HSD17B10ALDH1A1SIRT3TDP1CA12 | |
| SCHEMBL1328542 | 0.83 | SIRT3 (0.54) | HSD17B10ALDH1A1SIRT3TDP1CA12 | |
| SCHEMBL5677215 | 0.80 | TDP1 (0.40) | ALDH1A1SIRT3TDP1CA12CA1 | |
| SCHEMBL18050184 | 0.79 | HSD17B10 (0.40) | HSD17B10ALDH1A1GAARAB9AKDM4C | |
| SCHEMBL2747139 | 0.75 | HSD17B10 (0.49) | HSD17B10ALDH1A1TDP1MAPK1TSHR | |
| SCHEMBL1023957 | 0.75 | KDM4C (0.50) | HSD17B10ALDH1A1TDP1KDM4CKDM6B | |
| SCHEMBL18398783 | 0.73 | SLC22A12 (0.38) | SIRT3TDP1SLC22A12ROCK2ROCK1 | |
| SCHEMBL2265522 | 0.72 | KDM4C (0.47) | ALDH1A1SIRT3TDP1GAAKDM4C | |
| SCHEMBL1026384 | 0.72 | KDM4C (0.42) | ALDH1A1SIRT3TDP1GAARAB9A |
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 |
|---|---|---|---|---|---|---|---|
| EP-0480258-A2 | Use of substituted 2-mercapto-nicotinic acid derivatives for combat against endoparasites, novel substituted 2-mercaptonicotinir acid derivatives and processes for their preparation | BAYER AG (DE) | 1992-04-15 | — | — | EP | disclosed |