Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | TUBB1 | Q9H4B7 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.34 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | PDE5A | O76074 | 1/20 | 0.33 |
| ▸ | PDE4A | P27815 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9578646 | 0.83 | PDE1A (0.38) | TSHRTUBB1CYP3A4HSD17B10PDE5A | |
| SCHEMBL23202761 | 0.73 | HSD17B10 (0.41) | MEN1KMT2ATSHRALDH1A1HSD17B10 | |
| SCHEMBL9578708 | 0.71 | ALOX5 (0.36) | TUBB1CYP3A4 | |
| SCHEMBL6555142 | 0.70 | HTT (0.35) | MEN1KMT2ATSHRHTTLMNA | |
| SCHEMBL9049159 | 0.70 | NCOA1 (0.37) | MEN1KMT2ATSHRHTTLMNA | |
| SCHEMBL31360845 | 0.69 | TSHR (0.52) | MEN1KMT2ATSHRHTTLMNA | |
| SCHEMBL13144363 | 0.69 | TSHR (0.53) | MEN1KMT2ATSHRHTTLMNA | |
| SCHEMBL17535385 | 0.67 | LMNA (0.37) | MEN1KMT2ATSHRLMNA | |
| SCHEMBL4398340 | 0.67 | TSHR (0.41) | MEN1KMT2ATSHRHTTCYP3A4 | |
| SCHEMBL9578654 | 0.67 | ALOX5 (0.48) | — |
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-0151995-A2 | Novel 1,4-benzoquinone derivatives and benzene derivatives, and process for preparing the same | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1985-08-21 | — | — | EP | disclosed |