Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Metamizole. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 known ✓ | P23219 | 1/20 | 0.97 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.73 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.73 |
| ▸ | MAPT | P10636 | 1/20 | 0.73 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.73 |
| ▸ | THRB | P10828 | 2/20 | 0.62 |
| ▸ | LMNA | P02545 | 1/20 | 0.62 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.62 |
| ▸ | TSHR | P16473 | 1/20 | 0.62 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.62 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.58 |
| ▸ | BCHE | P06276 | 7/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | USP2 | O75604 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| Metamizole SCHEMBL16823495 | 0.99 | PTGS1 (0.95) | PTGS1ALOX15KDM4EMAPTALOX12 | |
| Metamizole SCHEMBL867882 | 0.99 | PTGS1 (0.95) | PTGS1ALOX15KDM4EMAPTALOX12 | |
| Metamizole SCHEMBL24997 | 0.99 | PTGS1 (1.00) | PTGS1ALOX15KDM4EMAPTALOX12 | |
| Metamizole SCHEMBL867884 | 0.97 | PTGS1 (0.97) | PTGS1ALOX15KDM4EMAPTALOX12 | |
| Metamizole SCHEMBL27598082 | 0.97 | PTGS1 (0.97) | PTGS1ALOX15KDM4EMAPTALOX12 | |
| SCHEMBL13524328 | 0.88 | PTGS1 (0.81) | PTGS1ALOX15KDM4EMAPTALOX12 | |
| SCHEMBL13524335 | 0.86 | PTGS1 (0.78) | PTGS1ALOX15KDM4EMAPTALOX12 | |
| Metamizole SCHEMBL24995 | 0.86 | ALOX15 (0.97) | PTGS1ALOX15KDM4EMAPTALOX12 | |
| Metamizole SCHEMBL24996 | 0.85 | ALOX15 (1.00) | PTGS1ALOX15KDM4EMAPTALOX12 | |
| SCHEMBL27870014 | 0.85 | PTGS1 (0.75) | PTGS1ALOX15KDM4EMAPTALOX12 |
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 |
|---|---|---|---|---|---|---|---|
| CN-102065900-B | Percutaneous absorption enhancer and transdermal preparation using the same | TOA EIYO LTD (JP) | 2013-09-25 | — | — | CN | disclosed |
| CN-102065900-A | Percutaneous absorption enhancer and transdermal preparation using the same | TOA EIYO LTD (JP) | 2011-05-18 | — | — | CN | disclosed |