Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.43 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.43 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.43 |
| ▸ | DRD3 | P35462 | 1/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | THPO | P40225 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL9013089 | 0.94 | CYP3A4 (0.41) | CYP3A4OPRM1ALDH1A1ALOX15SMN1; SMN2 | |
| SCHEMBL9013907 | 0.84 | CYP3A4 (0.47) | CYP3A4OPRM1ALDH1A1ALOX15SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL9013935 | 0.83 | CYP3A4 (0.46) | CYP3A4OPRM1ALDH1A1ALOX15SMN1; SMN2 | |
| SCHEMBL9012892 | 0.83 | FKBP1A (0.42) | ALDH1A1SMN1; SMN2HIF1ANFKB1THPO | |
| SCHEMBL9012950 | 0.81 | CYP3A4 (0.46) | CYP3A4OPRM1ALDH1A1ALOX15SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL9012993 | 0.81 | CYP3A4 (0.45) | CYP3A4OPRM1ALDH1A1ALOX15SMN1; SMN2 | |
| SCHEMBL8983316 | 0.80 | CYP3A4 (0.55) | CYP3A4OPRM1ALDH1A1ALOX15SMN1; SMN2 | |
| SCHEMBL9013775 | 0.79 | CYP3A4 (0.47) | CYP3A4OPRM1ALDH1A1ALOX15SMN1; SMN2 | |
| SCHEMBL14450628 | 0.79 | CYP3A4 (0.59) | CYP3A4OPRM1ALDH1A1ALOX15SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL9013223 | 0.79 | CYP3A4 (0.47) | CYP3A4OPRM1ALDH1A1ALOX15SMN1; 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 3 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 |
| WO-1992018512-A1 | AMINOACYL DERIVATIVES OF GEM-DIPHOSPHONIC ACIDS, A PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) | 1992-10-29 | — | — | WO | disclosed |