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 | |
|---|---|---|---|---|
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.52 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.60 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.60 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.60 |
| ▸ | THPO | P40225 | 1/20 | 0.60 |
| ▸ | MAPT | P10636 | 1/20 | 0.60 |
| ▸ | BLM | P54132 | 1/20 | 0.60 |
| ▸ | HTR2C | P28335 | 2/20 | 0.55 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.55 |
| ▸ | APP | P05067 | 1/20 | 0.54 |
| ▸ | NMT2 | O60551 | 1/20 | 0.51 |
| ▸ | NMT1 | P30419 | 1/20 | 0.51 |
| ▸ | HTR6 | P50406 | 1/20 | 0.47 |
| ▸ | NOS3 | P29474 | 1/20 | 0.47 |
| ▸ | NOS1 | P29475 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | GLA | P06280 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL3549500 | 0.93 | CYP1A2 (0.68) | NPSR1CYP2C9CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL18622640 | 0.80 | CYP1A2 (0.69) | NPSR1CYP2C9CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL4781939 | 0.78 | HTR1D (0.64) | CYP2C9CYP1A2CYP3A4CYP2D6THPO | |
| Oxalic Acid SCHEMBL8296773 | 0.78 | NMT2 (0.53) | HTR2CSLC6A4NMT2NMT1HTR1A | |
| SCHEMBL6956308 | 0.77 | HTR6 (0.57) | CYP2C9CYP1A2CYP3A4CYP2D6THPO | |
| SCHEMBL4674995 | 0.77 | CYP2C9 (0.66) | NPSR1CYP2C9CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL3546634 | 0.77 | CYP1A2 (0.58) | NPSR1CYP2C9CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL5705057 | 0.76 | CYP1A2 (0.72) | NPSR1CYP2C9CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL7459828 | 0.76 | HTR2C (0.62) | CYP2C9CYP1A2CYP3A4CYP2D6THPO | |
| SCHEMBL2781047 | 0.76 | HTR2C (0.62) | HTR2CADRB2APPSLC6A4NMT2 |
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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0842934-B1 | 5-HT1F agonists | LILLY CO ELI (US) | 2003-10-29 | — | — | EP | disclosed |
| EP-0929299-B1 | SUBSTITUTED 1,2,3,4-TETRAHYDRO-2-DIBENZOFURANAMINES AND 2-AMINOCYCLOHEPTA(b)BENZOFURANS | LILLY CO ELI (US) | 2003-10-08 | — | — | EP | disclosed |
| EP-0916670-B1 | Pyrrolo-(3,2-b) pyridines and their use as 5-HT1F agonists | LILLY CO ELI (US) | 2003-05-14 | — | — | EP | disclosed |
| EP-0768301-B1 | N-(2-substituted-3-(2-aminoethyl)-1H-indol-5-yl)-amides as new 5-HT1F agonists | LILLY CO ELI (US) | 2003-04-02 | — | — | EP | disclosed |
| EP-0708102-B1 | 5-HT1F agonists for the treatment of migraine | LILLY CO ELI (US) | 2002-12-11 | — | — | EP | disclosed |
| EP-0733628-B9 | 5-Substituted-3-(1,2,3,6-tetrahydropyridin-4-yl)- and 3-(piperidin-4-yl)-1H-indoles: 5-HT1F agonists | LILLY CO ELI (US) | 2002-06-12 | — | — | EP | disclosed |
| EP-1082958-A2 | 5-HT1F agonists in chronic pain | ELI LILLY AND COMPANY (US) | 2001-03-14 | — | — | EP | disclosed |
| CN-1284874-A | 5-HT1F agonists | LILLY CO ELI (US) | 2001-02-21 | — | — | CN | disclosed |
| EP-0733628-B1 | 5-Substituted-3-(1,2,3,6-tetrahydropyridin-4-yl)- and 3-(piperidin-4-yl)-1H-indoles: 5-HT1F agonists | LILLY CO ELI (US) | 2000-12-27 | — | — | EP | disclosed |
| EP-0749962-B1 | 6-substituted-1,2,3,4-tetrahydro-9H-carbazoles and 7-substituted-10H-cyclohepta(7,6-B)indoles | LILLY CO ELI (US) | 2000-11-02 | — | — | EP | disclosed |
| WO-1997000244-A1 | PROCESS FOR PARALLEL SYNTHESIS OF A NON-PEPTIDE LIBRARY | ELI LILLY AND COMPANY (US) | 1997-01-03 | — | — | WO | disclosed |
| EP-0749962-A1 | 6-substituted-1,2,3,4-tetrahydro-9H-carbazoles and 7-substituted-10H-cyclohepta(7,6-B)indoles | ELI LILLY AND COMPANY (US) | 1996-12-27 | — | — | EP | disclosed |
| WO-1996029075-A1 | 5-SUBSTITUTED-3-(1,2,3,6-TETRAHYDROPYRIDIN-4-YL)- AND 3-(PIPERIDIN-4-YL)-1H-INDOLES: NEW 5-HT1F AGONISTS | ELI LILLY AND COMPANY (US) | 1996-09-26 | — | — | WO | disclosed |
| EP-0733628-A1 | 5-Substituted-3-(1,2,3,6-tetrahydropyridin-4-yl)- and 3-(piperidin-4-yl)-1h-indoles: new 5-ht1f agonists | ELI LILLY AND COMPANY (US) | 1996-09-25 | — | — | EP | disclosed |
| EP-0714894-A1 | 3-(1,2,3,6-tetrahydro-(1-alkylenearyl)-4-pyridinyl)- and 3-(1-alkylenearyl)-4-piperidinyl-1h-indoles: new 5-HT1f agonists | ELI LILLY AND COMPANY (US) | 1996-06-05 | — | — | EP | disclosed |
| US-5521196-A | ANALGESICS USING SEROTONIN ANTAGONIST | ELI LILLY AND COMPANY (US) | 1996-05-28 | — | — | US | disclosed |
| US-5521197-A | ANALGESICS USING SEROTONIN ANTAGONIST | ELI LILLY AND COMPANY (US) | 1996-05-28 | — | — | US | disclosed |
| EP-0708102-A1 | 5-HT1F agonists for the treatment of migraine | ELI LILLY AND COMPANY (US) | 1996-04-24 | — | — | EP | disclosed |
| WO-1996011006-A1 | 5-HT1F MEDIATED INHIBITION OF NEUROGENIC MENINGEAL EXTRAVASATION | ELI LILLY AND COMPANY (US) | 1996-04-18 | — | — | WO | disclosed |
| EP-0705600-A1 | Use of 5-HT1F-receptor agonists for the treatment of migraine | ELI LILLY AND COMPANY (US) | 1996-04-10 | — | — | EP | disclosed |