Sugi Predict

Sugi Predict / Compounds / Barbituric Acid

Barbituric Acid

Barbituric Acid

SCHEMBL141571

NC(N)=O.O=C1CC(=O)NC(=O)N1

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.50
▸ HSD17B10 Q99714 2/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ HIF1A Q16665 1/20 0.50
▸ ITGB3 P05106 1/20 0.41
▸ ITGB1 P05556 1/20 0.41
▸ ITGAV P06756 1/20 0.41
▸ ITGA4 P13612 1/20 0.41
▸ CRBN Q96SW2 2/20 0.35
▸ LMNA P02545 1/20 0.33
▸ OR51E2 Q9H255 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ SRC P12931 1/20 0.31
▸ RGS12 O14924 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ OGT O15294 1/20 0.30
▸ USP2 O75604 1/20 0.30
▸ MAPT P10636 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.

Compoundsimilaritytop predictedshared targets
Barbituric Acid SCHEMBL8495245 0.86 ALDH1A1 (0.48) ALDH1A1HSD17B10CYP1A2HPGDHIF1A
Barbituric Acid SCHEMBL1470199 0.85 HSD17B10 (0.50) ALDH1A1HSD17B10CYP1A2HPGDHIF1A
Barbituric Acid SCHEMBL9941322 0.85 — —
Barbituric Acid SCHEMBL4560317 0.85 ALDH1A1 (0.55) ALDH1A1HSD17B10CYP1A2HPGDHIF1A
Barbituric Acid SCHEMBL38707 0.85 — —
Barbituric Acid SCHEMBL11674448 0.82 ALDH1A1 (0.54) ALDH1A1HSD17B10CYP1A2HPGDHIF1A
Barbituric Acid SCHEMBL1973830 0.82 ALDH1A1 (0.52) ALDH1A1HSD17B10CYP1A2HPGDHIF1A
Barbituric Acid SCHEMBL1972516 0.82 ALDH1A1 (0.52) ALDH1A1HSD17B10CYP1A2HPGDHIF1A
Barbituric Acid SCHEMBL11379882 0.82 ALDH1A1 (0.52) ALDH1A1HSD17B10CYP1A2HPGDHIF1A
Barbituric Acid SCHEMBL1974368 0.82 ALDH1A1 (0.52) ALDH1A1HSD17B10CYP1A2HPGDHIF1A

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114937771-A Cathode material, preparation method thereof and lithium ion battery 贝特瑞（江苏）新材料科技有限公司 2022-08-23 — — CN disclosed
US-20120059163-A1 Non-linear opticaly active molecules, their synthesis, and use OPTIMER PHOTONICS, INC. (US) 2012-03-08 — — US disclosed
US-20080004415-A1 Non-linear optically active molecules, their synthesis, and use OPTIMER PHOTONICS, INC. (US) 2008-01-03 — — US disclosed
EP-1742906-A2 NON-LINEAR OPTICALLY ACTIVE MOLECULES, THEIR SYNTHESIS, AND USE Optimer Photonics, Inc. (US) 2007-01-17 — — EP disclosed
WO-2005119315-A2 NON-LINEAR OPTICALLY ACTIVE MOLECULES, THEIR SYNTHESIS, AND USE OPTIMER PHOTONICS, INC. (US) 2005-12-15 — — 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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120059163-A1 Non-linear opticaly active molecules, their synthesis, and use INCENP, CYBA, ADCY5 ALDH1A1 371/4885HSD17B10 1565/4885CYP1A2 1562/4885
US-20080004415-A1 Non-linear optically active molecules, their synthesis, and use INCENP, CYBA, PAICS ALDH1A1 378/4885HSD17B10 1611/4885CYP1A2 1595/4885

“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.