Known targets — ChEMBL curated mechanism
ACHECHRM1CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNG
The experimentally established mechanism targets of Barbituric 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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | CRBN | Q96SW2 | 5/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | OGT | O15294 | 1/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.36 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.36 |
| ▸ | ITGAV | P06756 | 1/20 | 0.36 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.36 |
| ▸ | AHR | P35869 | 5/20 | 0.35 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.35 |
| ▸ | TDP2 | O95551 | 1/20 | 0.32 |
| ▸ | CASP3 | P42574 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Barbituric Acid SCHEMBL38707 | 0.96 | — | — | |
| Barbituric Acid SCHEMBL4560317 | 0.96 | ALDH1A1 (0.55) | ALDH1A1CYP1A2HPGDHIF1AHSD17B10 | |
| Barbituric Acid SCHEMBL9941322 | 0.96 | — | — | |
| Barbituric Acid SCHEMBL1974368 | 0.93 | ALDH1A1 (0.52) | ALDH1A1CYP1A2HPGDHIF1AHSD17B10 | |
| Barbituric Acid SCHEMBL1973453 | 0.93 | ALDH1A1 (0.52) | ALDH1A1CYP1A2HPGDHIF1AHSD17B10 | |
| Barbituric Acid SCHEMBL4278190 | 0.93 | ALDH1A1 (0.52) | ALDH1A1CYP1A2HPGDHIF1AHSD17B10 | |
| Barbituric Acid SCHEMBL11379882 | 0.93 | ALDH1A1 (0.52) | ALDH1A1CYP1A2HPGDHIF1AHSD17B10 | |
| Barbituric Acid SCHEMBL1973830 | 0.93 | ALDH1A1 (0.52) | ALDH1A1CYP1A2HPGDHIF1AHSD17B10 | |
| Barbituric Acid SCHEMBL1972516 | 0.93 | ALDH1A1 (0.52) | ALDH1A1CYP1A2HPGDHIF1AHSD17B10 | |
| Barbituric Acid SCHEMBL4663533 | 0.90 | ALDH1A1 (0.50) | ALDH1A1CYP1A2HPGDHIF1AHSD17B10 |
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-20060120956-A1 | Imaging agents comprising barbituric acid derivatives | KOPKA KLAUS | 2006-06-08 | — | — | US | disclosed |
| EP-1549317-A1 | IMPROVED IMAGING AGENTS COMPRISING BARBITURIC ACID DERIVATIVES | GE Healthcare Limited (GB) | 2005-07-06 | — | — | EP | disclosed |
| WO-2004032936-A1 | IMPROVED IMAGING AGENTS COMPRISING BARBITURIC ACID DERIVATIVES | AMERSHAM PLC (GB) | 2004-04-22 | — | — | 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 (1 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-20060120956-A1 | Imaging agents comprising barbituric acid derivatives | CA5A, GABRA5, CA5B | ALDH1A1 1222/4885CYP1A2 2230/4885HPGD 948/4885 |
“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.