Known targets — ChEMBL curated mechanism
PPARDPTGS1PTGS2dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of Roxatidine Acetate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 2)
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 | |
|---|---|---|---|---|
| Roxatidine Acetate SCHEMBL2322201 | 0.88 | HRH2 (0.89) | HRH2HRH3 | |
| Roxatidine Acetate SCHEMBL9084471 | 0.88 | HRH2 (0.96) | HRH2HRH3 | |
| Roxatidine Acetate SCHEMBL29965995 | 0.88 | HRH2 (1.00) | HRH2HRH3 | |
| SCHEMBL11399763 | 0.88 | HRH2 (1.00) | HRH2HRH3 | |
| Roxatidine Acetate SCHEMBL1393 | 0.88 | HRH2 (1.00) | HRH2HRH3 | |
| Roxatidine Acetate SCHEMBL29389759 | 0.87 | HRH2 (0.98) | HRH2HRH3 | |
| Roxatidine Acetate SCHEMBL667643 | 0.87 | HRH2 (0.98) | HRH2HRH3 | |
| SCHEMBL11182082 | 0.87 | HRH2 (0.98) | HRH2HRH3 | |
| Roxatidine Acetate SCHEMBL1650455 | 0.86 | HRH2 (0.96) | HRH2HRH3 | |
| Roxatidine Acetate SCHEMBL482841 | 0.85 | HRH2 (0.93) | HRH2HRH3 |
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 |