Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | CASP7 | P55210 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL22106 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL27912705 | 0.87 | — | — | |
| SCHEMBL27588603 | 0.87 | — | — | |
| SCHEMBL27692243 | 0.82 | — | — | |
| Acetamide SCHEMBL28086401 | 0.75 | LMNA (0.35) | CYP3A4ALOX15CASP1CASP7SMN1; SMN2 | |
| SCHEMBL28275526 | 0.70 | TSHR (0.47) | CYP3A4ALOX15CASP1SMN1; SMN2TSHR | |
| SCHEMBL3696552 | 0.70 | — | — | |
| SCHEMBL5668038 | 0.70 | CA4 (0.35) | CYP3A4ALOX15SMN1; SMN2 | |
| SCHEMBL888112 | 0.70 | TSHR (0.35) | TSHR | |
| Biphenyl SCHEMBL28269860 | 0.69 | ALDH1A1 (0.60) | CYP3A4SMN1; 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 |
|---|---|---|---|---|---|---|---|
| WO-1995001357-A1 | OPTICALLY ACTIVE 1-(4-NITROPHENYL)-4-METHYL-7,8-METHYLENEDIOXY-3,4-DIHYDRO-5H-2,3-BENZODIAZEPINE AND PROCESS FOR PREPARING SAME | Gyógyszerkutató Intézet Kft. (HU) | 1995-01-12 | — | — | WO | claimed |
| EP-0220435-A1 | A method for preparing optically active half esters | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1987-05-06 | — | — | EP | disclosed |