Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Masoprocol. 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 | |
|---|---|---|---|---|
| ▸ | IGF1R known ✓ | P08069 | 2/20 | 0.51 |
| ▸ | HIF1A | Q16665 | 5/20 | 0.58 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.58 |
| ▸ | TSHR | P16473 | 4/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.58 |
| ▸ | NR3C1 | P04150 | 3/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.58 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.58 |
| ▸ | LMNA | P02545 | 2/20 | 0.58 |
| ▸ | PGR | P06401 | 2/20 | 0.58 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.58 |
| ▸ | MAPT | P10636 | 2/20 | 0.58 |
| ▸ | CNR1 | P21554 | 2/20 | 0.58 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.58 |
| ▸ | HTR2B | P41595 | 2/20 | 0.58 |
| ▸ | BLM | P54132 | 2/20 | 0.58 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.58 |
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 | |
|---|---|---|---|---|
| Mitotane SCHEMBL5320791 | 0.77 | KDM4E (0.58) | HIF1AMAPK1TSHRKDM4ECYP3A4 | |
| Mitotane SCHEMBL2352082 | 0.76 | TSHR (1.00) | HIF1AMAPK1TSHRKDM4ECYP3A4 | |
| Mitotane SCHEMBL29360948 | 0.76 | TSHR (1.00) | HIF1AMAPK1TSHRKDM4ECYP3A4 | |
| Mitotane SCHEMBL4040 | 0.76 | TSHR (1.00) | HIF1AMAPK1TSHRKDM4ECYP3A4 | |
| Mitotane SCHEMBL4041 | 0.76 | TSHR (1.00) | HIF1AMAPK1TSHRKDM4ECYP3A4 | |
| Masoprocol SCHEMBL3818 | 0.71 | ALOX15 (1.00) | HIF1AMAPK1KDM4ECYP3A4NR3C1 | |
| Nordihydroguaiaretic Acid SCHEMBL13906133 | 0.71 | ALOX15 (1.00) | HIF1AMAPK1KDM4ECYP3A4NR3C1 | |
| Nordihydroguaiaretic Acid SCHEMBL29434238 | 0.71 | ALOX15 (1.00) | HIF1AMAPK1KDM4ECYP3A4NR3C1 | |
| Nordihydroguaiaretic Acid SCHEMBL135976 | 0.71 | ALOX15 (1.00) | HIF1AMAPK1KDM4ECYP3A4NR3C1 | |
| Masoprocol SCHEMBL29355090 | 0.71 | ALOX15 (1.00) | HIF1AMAPK1KDM4ECYP3A4NR3C1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2131840-A1 | COMBINATION OF BENZIMIDAZOLE ANTI-CANCER AGENT AND A SECOND ANTI-CANCER AGENT | S*Bio Pte Ltd (SG) | 2009-12-16 | — | — | EP | disclosed |
| WO-2008108741-A1 | COMBINATION OF BENZIMIDAZOLE ANTI-CANCER AGENT AND A SECOND ANTI-CANCER AGENT | S*BIO PTE LTD (SG) | 2008-09-12 | — | — | WO | disclosed |