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 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AGTR1 | P30556 | 1/20 | 0.59 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.59 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.55 |
| ▸ | HSP90B1 | P14625 | 2/20 | 0.55 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.44 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL10686007 | 0.93 | AGTR1 (0.54) | AGTR1AGTR2HSP90AA1HSP90B1CYP11B1 | |
| SCHEMBL8359426 | 0.80 | HSP90AA1 (0.54) | AGTR1AGTR2HSP90AA1HSP90B1CYP11B1 | |
| SCHEMBL9214231 | 0.78 | AGTR1 (0.66) | AGTR1AGTR2HSP90AA1HSP90B1KCNH2 | |
| SCHEMBL29136624 | 0.76 | AGTR1 (0.57) | AGTR1AGTR2HSP90AA1KCNH2 | |
| SCHEMBL29037510 | 0.76 | AGTR1 (0.57) | AGTR1AGTR2HSP90AA1KCNH2 | |
| SCHEMBL1508003 | 0.76 | CYP19A1 (0.50) | HSP90AA1HSP90B1CYP11B1CYP11B2CYP19A1 | |
| SCHEMBL28714480 | 0.75 | RAB9A (0.47) | HSP90AA1HSP90B1CYP11B1CYP11B2CYP19A1 | |
| SCHEMBL11014930 | 0.74 | AGTR1 (0.61) | AGTR1AGTR2HSP90AA1HSP90B1KCNH2 | |
| SCHEMBL27317908 | 0.74 | AGTR1 (1.00) | AGTR1AGTR2 | |
| SCHEMBL27388753 | 0.74 | AGTR1 (0.59) | AGTR1AGTR2HSP90AA1KCNH2CYP19A1 |
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 |