Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | TSHR | P16473 | 4/20 | 0.41 |
| ▸ | PARP1 | P09874 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | CASP1 | P29466 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | CASP7 | P55210 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 3/20 | 0.34 |
| ▸ | CA2 | P00918 | 3/20 | 0.34 |
| ▸ | CA9 | Q16790 | 3/20 | 0.34 |
| ▸ | CA1 | P00915 | 2/20 | 0.34 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.34 |
| ▸ | CA7 | P43166 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7983114 | 0.87 | TSHR (0.42) | HSD17B10ALDH1A1TSHRCYP3A4MAPK14 | |
| SCHEMBL11804404 | 0.87 | ALDH1A1 (0.52) | HSD17B10ALDH1A1TSHRPARP1CYP3A4 | |
| SCHEMBL29504742 | 0.80 | NPC1 (0.42) | ALDH1A1TSHRCYP3A4MEN1KMT2A | |
| SCHEMBL337227 | 0.80 | NPC1 (0.42) | ALDH1A1TSHRCYP3A4MEN1KMT2A | |
| SCHEMBL6037581 | 0.79 | ALDH1A1 (0.46) | HSD17B10ALDH1A1TSHRPARP1CYP3A4 | |
| SCHEMBL27742343 | 0.75 | TSHR (0.41) | HSD17B10ALDH1A1TSHRPARP1CYP3A4 | |
| SCHEMBL27950444 | 0.74 | HTR3E (0.53) | ALDH1A1TSHRPARP1MEN1KMT2A | |
| SCHEMBL11411868 | 0.74 | ALDH1A1 (0.48) | ALDH1A1MEN1KMT2ALMNAHTT | |
| SCHEMBL1879907 | 0.73 | ALDH1A1 (0.42) | HSD17B10ALDH1A1TSHRCYP3A4MEN1 | |
| SCHEMBL4588620 | 0.72 | HTR3E (0.47) | ALDH1A1TSHRPARP1CYP3A4MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009054878-A2 | COMPOSITIONS AND METHODS FOR THE TREATMENT OF NEOPLASIA | UNIVERSITY OF FLORIDA RESEARCH FOUNDATION (US) | 2009-04-30 | — | — | WO | disclosed |