Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.47 |
| ▸ | LMNA | P02545 | 3/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.47 |
| ▸ | THPO | P40225 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.47 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.47 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.47 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.47 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.47 |
| ▸ | ACHE | P22303 | 1/20 | 0.47 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.47 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.47 |
| ▸ | DRD3 | P35462 | 1/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL9012816 | 0.98 | CYP3A4 (0.46) | CYP3A4ALDH1A1SMN1; SMN2HIF1ALMNA | |
| SCHEMBL9013070 | 0.86 | CA12 (0.49) | ALDH1A1SMN1; SMN2HIF1ALMNAKMT2A | |
| SCHEMBL8983269 | 0.85 | CYP3A4 (0.53) | CYP3A4ALDH1A1SMN1; SMN2HIF1ALMNA | |
| SCHEMBL9012853 | 0.85 | CYP3A4 (0.48) | CYP3A4ALDH1A1SMN1; SMN2HIF1ALMNA | |
| Hydrochloric Acid SCHEMBL8983345 | 0.84 | CYP3A4 (0.52) | CYP3A4ALDH1A1SMN1; SMN2HIF1ALMNA | |
| SCHEMBL9013048 | 0.84 | CYP3A4 (0.47) | CYP3A4ALDH1A1SMN1; SMN2HIF1ALMNA | |
| SCHEMBL9012734 | 0.84 | CYP3A4 (0.47) | CYP3A4ALDH1A1SMN1; SMN2HIF1ALMNA | |
| SCHEMBL9012862 | 0.84 | CA12 (0.48) | ALDH1A1SMN1; SMN2HIF1ALMNAKMT2A | |
| SCHEMBL9012828 | 0.83 | OPRM1 (0.47) | CYP3A4ALDH1A1SMN1; SMN2HIF1ALMNA | |
| SCHEMBL9012827 | 0.83 | OPRM1 (0.43) | CYP3A4ALDH1A1SMN1; SMN2HIF1ALMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-0580642-B1 | AMINOACYL DERIVATIVES OF GEM-DIPHOSPHONIC ACIDS, A PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | BOEHRINGER MANNHEIM ITALIA (IT) | 1996-11-06 | — | — | EP | disclosed |
| US-5446187-A | Aminoacyl derivatives of gem-diphosphonic acids, a process for the preparation thereof and pharmaceutical compositions containing them | BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) | 1995-08-29 | — | — | US | disclosed |