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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 14/20 | 0.88 |
| ▸ | HTR2C | P28335 | 9/20 | 0.88 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.55 |
| ▸ | HTR1D | P28221 | 2/20 | 0.54 |
| ▸ | HTR1B | P28222 | 2/20 | 0.54 |
| ▸ | HTR2A | P28223 | 1/20 | 0.52 |
| ▸ | HTR1E | P28566 | 1/20 | 0.52 |
| ▸ | HTR1F | P30939 | 1/20 | 0.52 |
| ▸ | HTR7 | P34969 | 1/20 | 0.52 |
| ▸ | HTR2B | P41595 | 1/20 | 0.52 |
| ▸ | HTR3A | P46098 | 1/20 | 0.52 |
| ▸ | HTR5A | P47898 | 1/20 | 0.52 |
| ▸ | SLC47A1 | Q96FL8 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL8783632 | 0.94 | HTR1A (1.00) | HTR1AHTR2CHTR1DHTR1BHTR2A | |
| SCHEMBL8784514 | 0.82 | HTR1A (1.00) | HTR1AHTR2CHTR1DHTR1BHTR2A | |
| SCHEMBL8784127 | 0.81 | HTR1A (0.76) | HTR1AHTR2CHTR1DHTR1BHTR2A | |
| Oxalic Acid SCHEMBL8868424 | 0.81 | KMT2A (0.64) | HTR1AHTR2CKMT2AHTR1DHTR1B | |
| SCHEMBL8900030 | 0.79 | HTR1A (0.63) | HTR1AHTR2CHTR1DHTR1B | |
| SCHEMBL8784258 | 0.78 | HTR1A (0.71) | HTR1AHTR2CHTR1DHTR1BHTR2A | |
| SCHEMBL8784080 | 0.76 | HTR1A (0.60) | HTR1AHTR2CKMT2AHTR1DHTR1B | |
| Oxalic Acid SCHEMBL8783863 | 0.76 | HTR1A (0.88) | HTR1AHTR2CKMT2AHTR1DHTR1B | |
| SCHEMBL8783848 | 0.76 | HTR1A (1.00) | HTR1AHTR2CHTR1DHTR1BHTR2A | |
| Oxalic Acid SCHEMBL10569544 | 0.76 | KMT2A (0.63) | HTR1AHTR2CKMT2AHTR1DHTR1B |
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-5602162-A | TREATMENT AND/OR PREVENTION OF MIGRAINE | MERCK, SHARP & DOHME LTD. (GB) | 1997-02-11 | — | — | US | disclosed |
| US-5451588-A | Treatment of migraines | MERCK SHARP & DOHME LTD. (GB) | 1995-09-19 | — | — | US | disclosed |
| US-5298520-A | Triazole containing indole derivatives | MERCK SHARP & DOHME LIMITED (GB) | 1994-03-29 | — | — | US | disclosed |