Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Brequinar. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHODH known ✓ | Q02127 | 19/20 | 0.92 |
| ▸ | DHFR | P00374 | 1/20 | 0.92 |
| ▸ | ALKBH5 | Q6P6C2 | 1/20 | 0.92 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.68 |
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 | |
|---|---|---|---|---|
| Brequinar SCHEMBL29688590 | 0.96 | DHODH (1.00) | DHODHDHFRALKBH5PDE10A | |
| Brequinar SCHEMBL23832490 | 0.96 | DHODH (1.00) | DHODHDHFRALKBH5PDE10A | |
| Brequinar SCHEMBL29355220 | 0.96 | DHODH (1.00) | DHODHDHFRALKBH5PDE10A | |
| Brequinar SCHEMBL49400 | 0.96 | DHODH (1.00) | DHODHDHFRALKBH5PDE10A | |
| Brequinar SCHEMBL11906320 | 0.95 | DHODH (0.98) | DHODHDHFRALKBH5PDE10A | |
| Brequinar SCHEMBL23113785 | 0.95 | DHODH (0.98) | DHODHDHFRALKBH5PDE10A | |
| Brequinar SCHEMBL21378179 | 0.95 | DHODH (0.98) | DHODHDHFRALKBH5PDE10A | |
| Brequinar SCHEMBL23828306 | 0.95 | DHODH (0.98) | DHODHDHFRALKBH5PDE10A | |
| Brequinar SCHEMBL4266 | 0.95 | DHODH (0.98) | DHODHDHFRALKBH5PDE10A | |
| Brequinar SCHEMBL27742234 | 0.93 | DHODH (0.94) | DHODHDHFRALKBH5PDE10A |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090247488-A1 | ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS | CANNIZZARO CARINA | 2009-10-01 | — | — | US | disclosed |
| US-7432261-B2 | Anti-inflammatory phosphonate compounds | GILEAD SCIENCES, INC. (US) | 2008-10-07 | — | — | US | disclosed |
| US-20060199788-A1 | Anti-inflammatory phosphonate compounds | GILEAD SCIENCES, INC. | 2006-09-07 | — | — | US | disclosed |
| EP-1663254-A2 | ANTI-INFLAMATORY PHOSPHONATE CONJUGATES | GILEAD SCIENCES, INC. (US) | 2006-06-07 | — | — | EP | disclosed |
| WO-2004100960-A2 | ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS | GILEAD SCIENCES, INC. (US) | 2004-11-25 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20090247488-A1 | ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS | PHOSPHO1, TNF, PTGES | DHODH 2725/4885DHFR 2043/4885ALKBH5 3847/4885 |
| US-20060199788-A1 | Anti-inflammatory phosphonate compounds | PHOSPHO1, TNF, PTGES | DHODH 2725/4885DHFR 2043/4885ALKBH5 3847/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.