Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.40 |
| ▸ | ACHE | P22303 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | MAOA | P21397 | 2/20 | 0.38 |
| ▸ | GLA | P06280 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | CASP1 | P29466 | 2/20 | 0.38 |
| ▸ | CASP7 | P55210 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | NQO2 | P16083 | 1/20 | 0.38 |
| ▸ | DRD1 | P21728 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8554784 | 0.68 | ABCG2 (0.43) | ALDH1A1CYP1A2ACHEHSD17B10KDM4E | |
| SCHEMBL7499615 | 0.67 | HSD17B10 (0.37) | ALDH1A1CYP1A2HSD17B10KDM4EHPGD | |
| SCHEMBL28063855 | 0.66 | POLB (0.56) | ALDH1A1CYP1A2KDM4EGLASMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL4770447 | 0.65 | HSD17B10 (0.35) | ALDH1A1CYP1A2HSD17B10KDM4EHPGD | |
| SCHEMBL12505246 | 0.65 | GPR3 (0.48) | ALDH1A1CYP1A2ACHEEDNRATNKS | |
| SCHEMBL19445500 | 0.59 | GPR3 (0.58) | ALDH1A1CYP1A2ACHEHSD17B10KDM4E | |
| SCHEMBL1502392 | 0.59 | ALDH1A1 (0.62) | ALDH1A1CYP1A2ACHEHSD17B10KDM4E | |
| SCHEMBL13400206 | 0.57 | ALDH1A1 (0.59) | ALDH1A1CYP1A2ACHEHSD17B10KDM4E | |
| Phenazine SCHEMBL28253056 | 0.57 | MAPT (0.92) | ALDH1A1ACHEHSD17B10KDM4EMAOA | |
| Benzene SCHEMBL28224106 | 0.56 | ABCG2 (0.93) | ALDH1A1CYP1A2MAOAHPGDSMN1; SMN2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6465472-B1 | SUCH AS 1-(2-DIETHYLAMINOETHYL)-6,7-METHYLENEDIOXY-4-(3,4-METHYLENE -DIOXYPHENYL)QUINAZOLIN-2(1H)-ONE; AMPA IONOTROPIC RECEPTOR ANTAGONISTS; ANTICONVULSANTS, COGNITIVE ENHANCERS, PREVENTION OF NEURODEGENERATION | EURO-CELTIQUE S.A. (LU) | 2002-10-15 | — | — | US | disclosed |
| CN-1071164-A | Nitrogen-containing heterocycle compound | EISAI CO LTD (JP) | 1993-04-21 | — | — | CN | disclosed |