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 | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 7/20 | 0.41 |
| ▸ | CHRNA4 | P43681 | 7/20 | 0.41 |
| ▸ | CHRNB4 | P30926 | 6/20 | 0.41 |
| ▸ | CHRNA3 | P32297 | 6/20 | 0.41 |
| ▸ | CHRNA7 | P36544 | 5/20 | 0.41 |
| ▸ | CCR5 | P51681 | 1/20 | 0.38 |
| ▸ | SLC6A1 | P30531 | 2/20 | 0.37 |
| ▸ | SLC6A11 | P48066 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | SLC6A13 | Q9NSD5 | 1/20 | 0.37 |
| ▸ | CES2 | O00748 | 1/20 | 0.36 |
| ▸ | CES1 | P23141 | 1/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.35 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.34 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
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 SCHEMBL8899578 | 1.00 | CHRNB2 (0.41) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| Oxalic Acid SCHEMBL8901093 | 0.98 | CHRNB2 (0.40) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| Oxalic Acid SCHEMBL8900560 | 0.98 | CHRNB2 (0.40) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| Oxalic Acid SCHEMBL8901098 | 0.98 | CHRNB2 (0.40) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| Oxalic Acid SCHEMBL27463348 | 0.97 | CHRNB2 (0.43) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| Fumaric Acid SCHEMBL8901874 | 0.84 | HTT (0.47) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| Fumaric Acid SCHEMBL8901877 | 0.84 | HTT (0.47) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL18155356 | 0.84 | CCR5 (0.53) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL10754844 | 0.84 | CCR5 (0.53) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL21440674 | 0.84 | CCR5 (0.53) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5602167-A | 4-arylcyclohepta[c] pyrrole analgesics | ORTHO PHARMACEUTICAL CORPORATION (US) | 1997-02-11 | — | — | US | disclosed |
| WO-1996036604-A1 | 4-ARYLCYCLOHEPTA[c]PYRROLE ANALGESICS | ORTHO PHARMACEUTICAL CORPORATION (US) | 1996-11-21 | — | — | WO | disclosed |
| US-5523412-A | AN UNSUBSTITUTED OR N-ALKYL- OR CYCLOALKYL-SUBSTITUTED PERHYDROCYCLOHEPTA(C)PYRROL-4-ONE | ORTHO PHARMACEUTICAL CORPORATION (US) | 1996-06-04 | — | — | US | disclosed |