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 | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 13/20 | 0.48 |
| ▸ | HTR1B | P28222 | 13/20 | 0.48 |
| ▸ | HTR2A | P28223 | 4/20 | 0.43 |
| ▸ | HTR1D | P28221 | 12/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 2/20 | 0.40 |
| ▸ | HTR7 | P34969 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8544820 | 0.93 | HTR1A (0.54) | HTR1AHTR1BHTR2AHTR1DCYP1A2 | |
| Oxalic Acid SCHEMBL8548367 | 0.87 | HTR1A (0.49) | HTR1AHTR1BHTR2AHTR1DCYP1A2 | |
| SCHEMBL8549376 | 0.79 | HTR1A (0.55) | HTR1AHTR1BHTR2AHTR1DCYP1A2 | |
| Fumaric Acid SCHEMBL8549599 | 0.79 | HTR1A (0.46) | HTR1AHTR1BHTR2AHTR1DCYP1A2 | |
| Fumaric Acid SCHEMBL8549603 | 0.79 | HTR1A (0.46) | HTR1AHTR1BHTR2AHTR1DCYP1A2 | |
| SCHEMBL8543221 | 0.79 | HTR1A (0.55) | HTR1AHTR1BHTR2AHTR1DCYP1A2 | |
| SCHEMBL8543442 | 0.78 | HTR1A (0.54) | HTR1AHTR1BHTR2AHTR1DCYP1A2 | |
| SCHEMBL14961122 | 0.75 | HTR2A (0.70) | HTR1AHTR1BHTR2AHTR1DCYP1A2 | |
| Oxalic Acid SCHEMBL8549166 | 0.74 | HTR2A (0.56) | HTR1AHTR1BHTR2AHTR1DCYP1A2 | |
| Oxalic Acid SCHEMBL8549077 | 0.73 | HTR1A (0.49) | HTR1AHTR1BHTR2AHTR1DHTR2C |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0593513-B1 | TRYPTAMINE ANALOGUES, THEIR SYNTHESIS AND THEIR USE AS 5-HT1-LIKE RECEPTORS OR 5-HT2 RECEPTOR AGONISTES | SMITHKLINE BEECHAM PLC (GB) | 1998-10-28 | — | — | EP | disclosed |
| US-5571833-A | TREATMENT OF MIGRAINE, PORTAL HYPERTENSION | SMITHKLINE BEECHAM PLC (GB) | 1996-11-05 | — | — | US | disclosed |
| EP-0593513-A1 | TRYPTAMINE ANALOGUES, THEIR SYNTHESIS AND THEIR USE AS 5-HT1-LIKE RECEPTORS OR 5-HT2 RECEPTOR AGONISTES | SMITHKLINE BEECHAM PLC (GB) | 1994-04-27 | — | — | EP | disclosed |
| WO-1993000333-A1 | TRYPTAMINE ANALOGUES, THEIR SYNTHESIS AND THEIR USE AS 5-HT1-LIKE OR 5-HT2 RECEPTOR AGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1993-01-07 | — | — | WO | disclosed |