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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.52 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
| ▸ | MMP3 | P08254 | 1/20 | 0.40 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 4/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | CAPN1 | P07384 | 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 | |
|---|---|---|---|---|
| SCHEMBL10683486 | 0.95 | SIGMAR1 (0.57) | SIGMAR1MAOB | |
| Hydrochloric Acid SCHEMBL7315814 | 0.94 | SIGMAR1 (0.56) | SIGMAR1MAOB | |
| Oxalic Acid SCHEMBL10689687 | 0.81 | MEN1 (0.50) | KDM4EALDH1A1MEN1KMT2ACYP1A2 | |
| SCHEMBL10730970 | 0.78 | SIGMAR1 (0.68) | SIGMAR1MAOBKMT2A | |
| Hydrochloric Acid SCHEMBL7312601 | 0.77 | SIGMAR1 (0.51) | SIGMAR1MAOBMTNR1B | |
| SCHEMBL19498795 | 0.74 | SIGMAR1 (0.78) | SIGMAR1MAOBALOX5 | |
| SCHEMBL10687447 | 0.73 | CYP3A4 (0.49) | KDM4EALDH1A1MEN1KMT2ACYP1A2 | |
| Oxalic Acid SCHEMBL10685851 | 0.72 | KDM4E (0.54) | KDM4EALDH1A1MEN1KMT2ACYP1A2 | |
| SCHEMBL7323256 | 0.69 | HTR2A (0.47) | ALOX5MEN1KMT2A | |
| SCHEMBL19498793 | 0.69 | SIGMAR1 (0.77) | SIGMAR1MAOBKDM4EALOX5 |
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 |
|---|---|---|---|---|---|---|---|
| US-4742084-A | Aralykyl (arylethynyl)aralkyl amines and their use as vasodilators and antihypertensives | MCNEILAB, INC. (US) | 1988-05-03 | — | — | US | disclosed |
| US-4661635-A | ANTIARRHYTHMIA AGENTS | MCNEILAB, INC. (US) | 1987-04-28 | — | — | US | disclosed |
| EP-0146271-A2 | Aralykyl (arylethynyl) aralkyl amines for use as vasodilators and antihypertensives | McNeilab, Inc. (US) | 1985-06-26 | — | — | EP | disclosed |