Known targets — ChEMBL curated mechanism
ADORA1ADORA2AADORA2BADORA3PDE3APDE3BPDE4APDE4BPDE4CPDE4D
The experimentally established mechanism targets of Diacerein. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 known ✓ | P0DMS8 | 1/20 | 0.86 |
| ▸ | ADORA2A known ✓ | P29274 | 1/20 | 0.86 |
| ▸ | ADORA1 known ✓ | P30542 | 1/20 | 0.86 |
| ▸ | PDE4D known ✓ | Q08499 | 1/20 | 0.86 |
| ▸ | TTR | P02766 | 8/20 | 0.86 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.86 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.86 |
| ▸ | MEN1 | O00255 | 2/20 | 0.86 |
| ▸ | LMNA | P02545 | 2/20 | 0.86 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.86 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.86 |
| ▸ | MAPT | P10636 | 2/20 | 0.86 |
| ▸ | HPGD | P15428 | 2/20 | 0.86 |
| ▸ | CASP7 | P55210 | 2/20 | 0.86 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.86 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.86 |
| ▸ | FTO | Q9C0B1 | 2/20 | 0.86 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.86 |
| ▸ | USP2 | O75604 | 1/20 | 0.86 |
| ▸ | TP53 | P04637 | 1/20 | 0.86 |
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 | |
|---|---|---|---|---|
| Diacerein SCHEMBL25784 | 0.93 | TTR (1.00) | TTRALDH1A1KDM4EMEN1LMNA | |
| Diacerein SCHEMBL29944894 | 0.93 | TTR (1.00) | TTRALDH1A1KDM4EMEN1LMNA | |
| Diacerein SCHEMBL5051685 | 0.93 | TTR (1.00) | TTRALDH1A1KDM4EMEN1LMNA | |
| Diacerein SCHEMBL29423907 | 0.93 | TTR (1.00) | TTRALDH1A1KDM4EMEN1LMNA | |
| Diacerein SCHEMBL7438555 | 0.92 | TTR (0.97) | TTRALDH1A1KDM4EMEN1LMNA | |
| Diacerein SCHEMBL787907 | 0.92 | TTR (0.97) | TTRALDH1A1KDM4EMEN1LMNA | |
| Diacerein SCHEMBL5078956 | 0.92 | TTR (0.97) | TTRALDH1A1KDM4EMEN1LMNA | |
| SCHEMBL23655432 | 0.87 | TTR (0.84) | TTRALDH1A1KDM4EMEN1LMNA | |
| Diacerein SCHEMBL5712120 | 0.85 | MEN1 (0.84) | TTRALDH1A1KDM4EMEN1LMNA | |
| SCHEMBL16549421 | 0.84 | TTR (0.82) | TTRALDH1A1KDM4EMEN1LMNA |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3362071-A1 | CRYSTALLIZATION METHOD AND BIOAVAILABILITY | Grünenthal GmbH (DE) | 2018-08-22 | — | — | EP | disclosed |
| WO-2017049294-A1 | CRYSTALLIZATION METHOD AND BIOAVAILABILITY | THAR PHARMACEUTICALS, INC. (US) | 2017-03-23 | — | — | WO | disclosed |
| WO-2011097269-A9 | CRYSTALLIZATION METHOD AND BIOAVAILABILITY | THAR PHARMACEUTICALS, INC. (US) | 2012-12-27 | — | — | WO | disclosed |
| EP-2531200-A1 | CRYSTALLIZATION METHOD AND BIOAVAILABILITY | Thar Pharmaceuticals, Inc. (US) | 2012-12-12 | — | — | EP | disclosed |
| WO-2011097269-A1 | CRYSTALLIZATION METHOD AND BIOAVAILABILITY | THAR PHARMACEUTICALS, INC. (US) | 2011-08-11 | — | — | WO | disclosed |