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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TPO known ✓ | P07202 | 1/20 | 0.83 |
| ▸ | LPO | P22079 | 2/20 | 0.83 |
| ▸ | MPO | P05164 | 1/20 | 0.83 |
| ▸ | TSHR | P16473 | 1/20 | 0.83 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.83 |
| ▸ | TAS2R38 | P59533 | 1/20 | 0.83 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.67 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.67 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.66 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | GPR84 | Q9NQS5 | 9/20 | 0.42 |
| ▸ | CYB5R3 | P00387 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | BAZ2B | Q9UIF8 | 1/20 | 0.39 |
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 SCHEMBL5493716 | 0.91 | LPO (1.00) | LPOMPOTPOTSHRCYP2C19 | |
| Propylthiouracil SCHEMBL41239 | 0.91 | LPO (1.00) | LPOMPOTPOTSHRCYP2C19 | |
| Propylthiouracil SCHEMBL27995248 | 0.90 | LPO (0.96) | LPOMPOTPOTSHRCYP2C19 | |
| Methylthiouracil SCHEMBL159989 | 0.82 | — | — | |
| SCHEMBL8407853 | 0.81 | KMT2A (0.90) | LPOMPOTPOTSHRCYP2C19 | |
| Methylthiouracil SCHEMBL5798462 | 0.80 | SMN1; SMN2 (0.95) | LPOMPOTPOTSHRCYP2C19 | |
| Propylthiouracil SCHEMBL2322792 | 0.80 | CYP2C19 (0.76) | LPOMPOTPOTSHRCYP2C19 | |
| SCHEMBL10489579 | 0.79 | KMT2A (1.00) | LPOMPOTPOTSHRCYP2C19 | |
| Propylthiouracil SCHEMBL20771755 | 0.78 | LPO (0.73) | LPOMPOTPOTSHRCYP2C19 | |
| SCHEMBL11739128 | 0.78 | KMT2A (0.97) | LPOMPOTPOTSHRCYP2C19 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103717597-B | Heterocyclic compounds as kinase inhibitors | 原真股份有限公司 | 2017-07-04 | — | — | CN | disclosed |
| CN-103492389-B | Pyrazolo [4,3-d] pyrimidine as inhibitors of kinases | 原真股份有限公司 | 2016-09-14 | — | — | CN | disclosed |
| EP-2699579-A1 | PYRAZOLO [4, 3-D]PYRIMIDINES USEFUL AS KINASE INHIBITORS | Origenis GmbH (DE) | 2014-02-26 | — | — | EP | disclosed |
| EP-2699572-A1 | HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS | Origenis GmbH (DE) | 2014-02-26 | — | — | EP | disclosed |
| WO-2012143144-A1 | PYRAZOLO [4, 3-D] PYRIMIDINES USEFUL AS KINASE INHIBITORS | ORIGENIS GMBH (DE) | 2012-10-26 | — | — | WO | disclosed |
| WO-2012143143-A1 | HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS | ORIGENIS GMBH (DE) | 2012-10-26 | — | — | WO | disclosed |