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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.61 |
| ▸ | MEN1 | O00255 | 1/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.61 |
| ▸ | LTA4H | P09960 | 10/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.58 |
| ▸ | LMNA | P02545 | 1/20 | 0.58 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.55 |
| ▸ | NPC1 | O15118 | 1/20 | 0.54 |
| ▸ | HTT | P42858 | 1/20 | 0.54 |
| ▸ | RAB9A | P51151 | 1/20 | 0.54 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.54 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.53 |
| ▸ | NPY1R | P25929 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL7326161 | 0.95 | LTA4H (0.62) | LTA4HHRH3KCNH2 | |
| Oxalic Acid SCHEMBL9369473 | 0.88 | KDM4E (0.61) | KDM4EMEN1KMT2ALTA4HALDH1A1 | |
| Oxalic Acid SCHEMBL7318747 | 0.87 | KMT2A (0.69) | KDM4EMEN1KMT2AALDH1A1HRH3 | |
| SCHEMBL7315210 | 0.86 | KDM4E (0.60) | KDM4ELTA4HALDH1A1LMNAHRH3 | |
| SCHEMBL7322566 | 0.85 | TMEM97 (0.61) | HRH3KCNH2 | |
| Hydrochloric Acid SCHEMBL7322523 | 0.85 | KDM4E (0.59) | KDM4ELTA4HALDH1A1LMNAHRH3 | |
| Hydrochloric Acid SCHEMBL7320603 | 0.84 | TMEM97 (0.60) | HRH3KCNH2 | |
| Oxalic Acid SCHEMBL7322875 | 0.84 | KMT2A (0.59) | MEN1KMT2AHRH3 | |
| SCHEMBL7403252 | 0.84 | HRH3 (0.73) | LTA4HHRH3KCNH2 | |
| SCHEMBL7322766 | 0.83 | HRH3 (0.65) | LTA4HHRH3NPC1RAB9AKCNH2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1992002502-A1 | N-HYDROCARBYL-4-SUBSTITUTED PIPERIDINES, THEIR PREPARATION AND USE AS CALCIUM BLOCKING AGENTS | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1992-02-20 | — | — | WO | disclosed |