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 | 2/20 | 0.51 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.51 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.48 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | ESR1 | P03372 | 1/20 | 0.48 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | PDE4A | P27815 | 1/20 | 0.48 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.48 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.48 |
| ▸ | STAT6 | P42226 | 1/20 | 0.48 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.48 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.42 |
| ▸ | AHR | P35869 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1507962 | 0.78 | CYP19A1 (0.73) | SLC6A3SLC6A2SLC6A4KDM4ECYP3A4 | |
| SCHEMBL17488165 | 0.74 | SLC6A2 (0.42) | SLC6A3SLC6A2SLC6A4KDM4ETSHR | |
| SCHEMBL9168089 | 0.71 | SLC6A2 (0.42) | SLC6A3SLC6A2SLC6A4KDM4ECYP2C9 | |
| SCHEMBL3290275 | 0.71 | SLC6A3 (1.00) | SLC6A3SLC6A2SLC6A4KDM4ECYP3A4 | |
| SCHEMBL30638834 | 0.70 | SLC6A3 (0.68) | SLC6A3SLC6A2SLC6A4KDM4ECYP3A4 | |
| Dihydroxydiphenyl-Pyridyl Methane SCHEMBL2021125 | 0.70 | KDM4E (0.64) | SLC6A3SLC6A2SLC6A4KDM4ECYP3A4 | |
| Bromide SCHEMBL30297437 | 0.69 | SLC6A3 (0.95) | SLC6A3SLC6A2SLC6A4KDM4ECYP3A4 | |
| SCHEMBL4890891 | 0.69 | SLC6A3 (0.61) | SLC6A3SLC6A2SLC6A4KDM4ECYP3A4 | |
| SCHEMBL14164965 | 0.69 | SLC6A3 (0.78) | SLC6A3SLC6A2SLC6A4KDM4ECYP3A4 | |
| Dihydroxydiphenyl-Pyridyl Methane SCHEMBL3615825 | 0.68 | SLC6A3 (0.70) | SLC6A3SLC6A2SLC6A4KDM4ECYP3A4 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0236940-B3 | Alpha-heterocycle substituted tolunitriles | NOVARTIS AG (CH) | 2011-03-23 | — | — | EP | disclosed |
| US-5473078-A | Aromatase inhibiting compounds | CIBA-GEIGY CORPORATION (US) | 1995-12-05 | — | — | US | disclosed |
| US-5352795-A | Condensing triazolylmethylbenzonitrile with fluorobenzonitrile under basic conditions using alkali metal alkoxide | CIBA-GEIGY CORPORATION (US) | 1994-10-04 | — | — | US | disclosed |
| EP-0236940-B1 | ALPHA-HETEROCYCLE SUBSTITUTED TOLUNITRILES | CIBA-GEIGY AG (CH) | 1993-09-22 | — | — | EP | disclosed |
| US-5112845-A | Inhibitors of estrogen synthesis, veterinary medicine | CIBA-GEIGY CORPORATION (US) | 1992-05-12 | — | — | US | disclosed |
| US-5071861-A | Aromatase enzyme inhibitor; antiestrogens | CIBA-GEIGY CORPORATION (US) | 1991-12-10 | — | — | US | disclosed |
| US-4978672-A | Alpha-heterocyclc substituted tolunitriles | CIBA-GEIGY CORPORATION (US) | 1990-12-18 | — | — | US | disclosed |
| US-4937250-A | AROMATASE ENZYME INHIBITORS | CIBA-GEIGY CORPORATION (US) | 1990-06-26 | — | — | US | disclosed |
| US-4749713-A | Alpha-heterocycle substituted tolunitriles | CIBA-GEIGY CORPORATION (US) | 1988-06-07 | — | — | US | disclosed |
| EP-0236940-A2 | Alpha-heterocycle substituted tolunitriles | CIBA-GEIGY AG (CH) | 1987-09-16 | — | — | EP | disclosed |