Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSPA5 | P11021 | 2/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.42 |
| ▸ | HSP90AA1 | P07900 | 3/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.40 |
| ▸ | IDO1 | P14902 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.40 |
| ▸ | CASP1 | P29466 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | BLM | P54132 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL13481999 | 0.85 | HSPA5 (0.64) | HSPA5KEAP1HSP90AA1HIF1AIDO1 | |
| SCHEMBL7101509 | 0.83 | HSPA5 (0.73) | HSPA5ALDH1A1KEAP1HSP90AA1HIF1A | |
| SCHEMBL26123823 | 0.75 | HIF1A (0.54) | HSPA5HSP90AA1HIF1AIDO1MEN1 | |
| SCHEMBL10470450 | 0.74 | HSPA5 (0.64) | HSPA5ALDH1A1KEAP1HSP90AA1HIF1A | |
| SCHEMBL29357407 | 0.74 | HSPA5 (1.00) | HSPA5ALDH1A1KEAP1HIF1AIDO1 | |
| SCHEMBL49745 | 0.74 | HSPA5 (1.00) | HSPA5ALDH1A1KEAP1HIF1AIDO1 | |
| SCHEMBL15303195 | 0.74 | MEN1 (0.46) | KEAP1IDO1MEN1CYP3A4KMT2A | |
| SCHEMBL2305654 | 0.73 | HSPA5 (0.61) | HSPA5ALDH1A1KEAP1HSP90AA1HIF1A | |
| SCHEMBL11815038 | 0.72 | HSPA5 (0.46) | HSPA5KEAP1HSP90AA1HIF1AIDO1 | |
| SCHEMBL29839938 | 0.72 | HSPA5 (0.94) | HSPA5ALDH1A1KEAP1HIF1AIDO1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3055281-B1 | PREPARATION OF HYDROXY-BENZYLBENZENE DERIVATIVES | THERACOS SUB LLC (US) | 2020-01-08 | — | — | EP | disclosed |
| EP-3055281-A1 | PREPARATION OF HYDROXY-BENZYLBENZENE DERIVATIVES | Theracos Sub, LLC (US) | 2016-08-17 | — | — | EP | disclosed |
| WO-2015051597-A1 | PREPARATION OF HYDROXY-BENZYLBENZENE DERIVATIVES | THERACOS, INC. (US) | 2015-04-16 | — | — | WO | disclosed |