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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | RBP4 | P02753 | 1/20 | 0.32 |
| ▸ | EDNRA | P25101 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.30 |
| ▸ | BRD4 | O60885 | 1/20 | 0.30 |
| ▸ | CCL2 | P13500 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7772311 | 0.91 | HTR2A (0.38) | CYP2D6HTR2AMEN1KMT2ABRD4 | |
| Carbamic Acid SCHEMBL27926154 | 0.78 | HTR2A (0.38) | CYP2D6ATMHTR2AEDNRACYP2C9 | |
| Acetic Acid SCHEMBL28110439 | 0.78 | MEN1 (0.38) | CYP2D6ATMHTR2AEDNRACYP2C9 | |
| SCHEMBL31297722 | 0.76 | HTR2A (0.41) | CYP2D6ATMHTR2AMEN1KMT2A | |
| SCHEMBL30990099 | 0.76 | HTR2A (0.41) | CYP2D6ATMHTR2AMEN1KMT2A | |
| SCHEMBL28183014 | 0.76 | HTR2A (0.41) | CYP2D6ATMHTR2AMEN1KMT2A | |
| SCHEMBL197033 | 0.76 | HTR2A (0.41) | CYP2D6ATMHTR2AMEN1KMT2A | |
| SCHEMBL8693899 | 0.76 | HTR2A (0.41) | CYP2D6ATMHTR2AMEN1KMT2A | |
| SCHEMBL29430337 | 0.76 | HTR2A (0.41) | CYP2D6ATMHTR2AMEN1KMT2A | |
| SCHEMBL8693987 | 0.76 | HTR2A (0.41) | CYP2D6ATMHTR2AMEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-2297089-A1 | BENZOCYCLOHEPTANE AND BENZOXEPINE DERIVATIVES | Janssen Pharmaceutica, N.V. (BE) | 2011-03-23 | — | — | EP | claimed |