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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1F | P30939 | 12/20 | 0.94 |
| ▸ | HTR1A | P08908 | 2/20 | 0.44 |
| ▸ | HTR1D | P28221 | 2/20 | 0.44 |
| ▸ | HTR1B | P28222 | 2/20 | 0.44 |
| ▸ | HTR2A | P28223 | 2/20 | 0.44 |
| ▸ | HTR2C | P28335 | 2/20 | 0.44 |
| ▸ | HTR4 | Q13639 | 2/20 | 0.44 |
| ▸ | HTR7 | P34969 | 1/20 | 0.44 |
| ▸ | HTR2B | P41595 | 1/20 | 0.44 |
| ▸ | HTR6 | P50406 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ADCY1 | Q08828 | 3/20 | 0.37 |
| ▸ | HTR1E | P28566 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6641956 | 0.89 | HTR1F (0.81) | HTR1FNPC1RAB9ATP53 | |
| SCHEMBL6647888 | 0.83 | HTR1F (0.75) | HTR1FNPC1RAB9AKDM4ETP53 | |
| Oxalic Acid SCHEMBL6646761 | 0.83 | HTR1F (0.65) | HTR1FHTR1AHTR1DHTR1BHTR2A | |
| Oxalic Acid SCHEMBL6643017 | 0.81 | HTR1F (0.63) | HTR1FHTR1AHTR1DHTR1BHTR2A | |
| SCHEMBL6641025 | 0.81 | HTR1F (0.71) | HTR1FKDM4EMAPT | |
| Oxalic Acid SCHEMBL6806129 | 0.81 | HTR1F (0.63) | HTR1FHTR1AHTR1DHTR1BNPC1 | |
| SCHEMBL6667290 | 0.76 | HTR1F (0.63) | HTR1FNPC1RAB9AMAPTTP53 | |
| Oxalic Acid SCHEMBL6642760 | 0.76 | HTR1F (0.56) | HTR1FHTR1AHTR1DHTR1BHTR2A | |
| SCHEMBL8552580 | 0.76 | HTR1F (0.65) | HTR1FHTR1AHTR1DHTR1BHTR2A | |
| SCHEMBL5906460 | 0.74 | HTR1F (0.59) | HTR1FNPC1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| US-6696439-B1 | HETEROCYCLIC IMINES SUCH AS 2-METHYL-3-(2-(N',N'-DIETHYLAMINO) ETHYL)-5-(4-PROPANESULFONYLBENZAMIDE)FURO(3,2-B)PYRIDINE, HYDROCHLORIDE, USED AS SEROTONIN RECEPTOR ANTAGONISTS FOR PROPHYLAXIS OF HEADACHES | ELI LILLY AND COMPANY | 2004-02-24 | — | — | US | disclosed |