Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Propylthiouracil. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TPO known ✓ | P07202 | 1/20 | 0.76 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.76 |
| ▸ | LPO | P22079 | 2/20 | 0.76 |
| ▸ | MPO | P05164 | 1/20 | 0.76 |
| ▸ | TSHR | P16473 | 1/20 | 0.76 |
| ▸ | TAS2R38 | P59533 | 1/20 | 0.76 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.60 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | CYB5R3 | P00387 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.45 |
| ▸ | GPR84 | Q9NQS5 | 10/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
| ▸ | BAZ2B | Q9UIF8 | 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 | |
|---|---|---|---|---|
| Propylthiouracil SCHEMBL41239 | 0.87 | LPO (1.00) | CYP2C19LPOMPOTPOTSHR | |
| Propylthiouracil SCHEMBL5493716 | 0.87 | LPO (1.00) | CYP2C19LPOMPOTPOTSHR | |
| Propylthiouracil SCHEMBL2323413 | 0.80 | CYP2C19 (0.58) | CYP2C19LPOMPOTPOTSHR | |
| Propylthiouracil SCHEMBL13723721 | 0.80 | LPO (0.83) | CYP2C19LPOMPOTPOTSHR | |
| SCHEMBL8407853 | 0.77 | KMT2A (0.90) | CYP2C19LPOMPOTPOTSHR | |
| SCHEMBL141453 | 0.76 | KMT2A (0.61) | CYP2C19LPOMPOTPOTSHR | |
| SCHEMBL10489579 | 0.76 | KMT2A (1.00) | CYP2C19LPOMPOTPOTSHR | |
| Propylthiouracil SCHEMBL20771755 | 0.75 | LPO (0.73) | CYP2C19LPOMPOTPOTSHR | |
| SCHEMBL11739128 | 0.74 | KMT2A (0.97) | CYP2C19LPOMPOTPOTSHR | |
| SCHEMBL15752987 | 0.74 | KMT2A (0.97) | CYP2C19LPOMPOTPOTSHR |
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 |