Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 5/20 | 0.59 |
| ▸ | POR | P16435 | 5/20 | 0.59 |
| ▸ | EED | O75530 | 6/20 | 0.45 |
| ▸ | SUZ12 | Q15022 | 6/20 | 0.45 |
| ▸ | EZH2 | Q15910 | 6/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.45 |
| ▸ | EPAS1 | Q99814 | 3/20 | 0.45 |
| ▸ | CES2 | O00748 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | CES1 | P23141 | 2/20 | 0.45 |
| ▸ | PTPN6 | P29350 | 2/20 | 0.45 |
| ▸ | PTPN11 | Q06124 | 2/20 | 0.45 |
| ▸ | NSD1 | Q96L73 | 2/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.45 |
| ▸ | KDM1A | O60341 | 1/20 | 0.45 |
| ▸ | BLM | P54132 | 1/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.45 |
| ▸ | IDO1 | P14902 | 8/20 | 0.40 |
| ▸ | TDO2 | P48775 | 7/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5940262 | 0.70 | NQO1 (0.68) | NQO1POREEDSUZ12EZH2 | |
| SCHEMBL16023778 | 0.66 | HIF1A (0.81) | NQO1POREEDSUZ12EZH2 | |
| SCHEMBL14417735 | 0.64 | EED (0.71) | NQO1POREEDSUZ12EZH2 | |
| Tanshinone I SCHEMBL14993883 | 0.63 | TDP1 (1.00) | NQO1POREEDSUZ12EZH2 | |
| SCHEMBL8677460 | 0.62 | NQO1 (0.49) | NQO1POREEDSUZ12EZH2 | |
| SCHEMBL973754 | 0.61 | PDF (0.50) | NQO1POREEDSUZ12EZH2 | |
| SCHEMBL8336398 | 0.59 | PDF (0.41) | NQO1POREEDSUZ12EZH2 | |
| SCHEMBL15910085 | 0.57 | TDP2 (0.32) | — | |
| SCHEMBL30433929 | 0.57 | TDP2 (0.32) | — | |
| Duroquinone SCHEMBL58325 | 0.57 | MAOA (0.38) | HIF1AALDH1A1TP53HPGDALOX12 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4912131-A | 4,7-diacyloxybenzofuran derivatives | MERCK FROSST CANADA, INC. (CA) | 1990-03-27 | — | — | US | disclosed |
| US-4800228-A | INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS | MERCK FROSST CANADA, INC. (CA) | 1989-01-24 | — | — | US | disclosed |
| US-4778805-A | ANTIALLERGENS, CARDIOVASCULAR DISORDERS, ANTIINFLAMMATORY AGENTS, SKIN AND VISION DISORDERS | MERCK FROSST CANADA (CA) | 1988-10-18 | — | — | US | disclosed |