Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Oxalic Acid. 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 | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 9/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | ESR1 | P03372 | 1/20 | 0.51 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.51 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.51 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | GGT1 | P19440 | 1/20 | 0.51 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.51 |
| ▸ | BLM | P54132 | 1/20 | 0.51 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | PPARG | P37231 | 1/20 | 0.44 |
| ▸ | PPARA | Q07869 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL2910938 | 0.95 | PTGS2 (0.52) | PTGS2KDM4EHSD17B10ALDH1A1ESR1 | |
| SCHEMBL3129542 | 0.93 | PTGS2 (0.50) | PTGS2KDM4EHSD17B10ALDH1A1ESR1 | |
| SCHEMBL27870291 | 0.82 | KDM4E (0.41) | KDM4ETSHRTDP1CYP1A2CYP2C9 | |
| SCHEMBL9616117 | 0.82 | KDM4E (0.44) | KDM4EALDH1A1TSHRL3MBTL1 | |
| Benzene SCHEMBL28173619 | 0.82 | PTGS2 (0.58) | PTGS2KDM4EHSD17B10ALDH1A1ESR1 | |
| SCHEMBL27485507 | 0.82 | ADORA3 (0.44) | PTGS2KDM4EHSD17B10ALDH1A1ESR1 | |
| SCHEMBL12569393 | 0.81 | TAAR1 (0.59) | PTGS2KDM4EHSD17B10ALDH1A1ESR1 | |
| SCHEMBL30850062 | 0.80 | PTGS2 (0.55) | PTGS2KDM4EHSD17B10ALDH1A1ESR1 | |
| SCHEMBL11589528 | 0.80 | PTGS2 (0.55) | PTGS2KDM4EHSD17B10ALDH1A1ESR1 | |
| SCHEMBL68677 | 0.80 | PTGS2 (0.55) | PTGS2KDM4EHSD17B10ALDH1A1ESR1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2003011222-A2 | THROMBIN INHIBITORS | MERCK & CO., INC. (US) | 2003-02-13 | — | — | WO | disclosed |
| WO-2002064211-A1 | THROMBIN INHIBITORS | MERCK & CO., INC. (US) | 2002-08-22 | — | — | WO | disclosed |
| WO-2002050056-A1 | BENZYLAMINE DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS | MERCK & CO., INC. (US) | 2002-06-27 | — | — | WO | disclosed |