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 | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 12/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.47 |
| ▸ | FNTA | P49354 | 1/20 | 0.47 |
| ▸ | FNTB | P49356 | 1/20 | 0.47 |
| ▸ | CNR1 | P21554 | 3/20 | 0.43 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | PGR | P06401 | 1/20 | 0.42 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | IDO1 | P14902 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Oxalic Acid SCHEMBL9869246 | 0.90 | CYP19A1 (0.56) | CYP19A1CYP3A4CYP1A2CYP2D6FNTA | |
| Oxalic Acid SCHEMBL9526975 | 0.90 | CYP19A1 (0.56) | CYP19A1CYP3A4CYP1A2CYP2D6FNTA | |
| SCHEMBL14092698 | 0.84 | CYP19A1 (0.63) | CYP19A1CYP3A4CYP1A2CYP2D6FNTA | |
| SCHEMBL9523472 | 0.78 | CYP19A1 (0.60) | CYP19A1CYP3A4CYP2D6FNTAFNTB | |
| SCHEMBL10693298 | 0.76 | CYP19A1 (1.00) | CYP19A1CYP3A4CYP1A2CYP2D6CNR1 | |
| SCHEMBL11366789 | 0.73 | CYP19A1 (1.00) | CYP19A1CYP3A4CYP1A2CYP2D6FNTA | |
| SCHEMBL9523782 | 0.71 | CYP19A1 (0.60) | CYP19A1CYP3A4CYP2D6FNTAFNTB | |
| SCHEMBL11353276 | 0.70 | CYP19A1 (0.91) | CYP19A1CYP3A4CYP1A2CYP2D6FNTA | |
| SCHEMBL11370543 | 0.70 | CYP19A1 (0.85) | CYP19A1CYP3A4CYP1A2CYP2D6FNTA | |
| SCHEMBL8917184 | 0.70 | CYP19A1 (0.84) | CYP19A1CYP3A4CYP1A2CYP2D6CNR1 |
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-0293978-B1 | (1H-AZOL-1-YLMETHYL)SUBSTITUTED BENZOTRIAZOLE DERIVATIVES | JANSSEN PHARMACEUTICA N.V. (BE) | 1993-09-15 | — | — | EP | disclosed |
| US-5039677-A | Estrogen inhibitor | JANSSEN PHARMACEUTICA N.V. (CA) | 1991-08-13 | — | — | US | disclosed |
| US-4943574-A | AROMATASE INHIBITORS, ESTROGEN DISORDERS | JANSSEN PHARMACEUTICA N.V. (BE) | 1990-07-24 | — | — | US | disclosed |
| EP-0293978-A2 | (1H-azol-1-ylmethyl)substituted benzotriazole derivatives | JANSSEN PHARMACEUTICA N.V. (BE) | 1988-12-07 | — | — | EP | disclosed |