Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FKBP1A | P62942 | 4/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | F2 | P00734 | 2/20 | 0.41 |
| ▸ | GMNN | O75496 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | THPO | P40225 | 1/20 | 0.41 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.41 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.41 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | SLCO1B3 | Q9NPD5 | 1/20 | 0.41 |
| ▸ | ITGB1 | P05556 | 4/20 | 0.40 |
| ▸ | ITGA4 | P13612 | 4/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9012892 | 0.95 | FKBP1A (0.42) | FKBP1AHDAC6F2GMNNALDH1A1 | |
| SCHEMBL9013089 | 0.84 | CYP3A4 (0.41) | FKBP1AALDH1A1LMNAMAPTNFKB1 | |
| SCHEMBL8983258 | 0.80 | CA12 (0.59) | HDAC6GMNNALDH1A1LMNACYP2D6 | |
| SCHEMBL8983307 | 0.80 | CA12 (0.57) | HDAC6GMNNALDH1A1LMNACYP2D6 | |
| SCHEMBL9013240 | 0.79 | CA12 (0.54) | HDAC6GMNNALDH1A1LMNACYP2D6 | |
| SCHEMBL9013143 | 0.79 | CA12 (0.54) | HDAC6GMNNALDH1A1LMNACYP2D6 | |
| SCHEMBL9012824 | 0.78 | CYP3A4 (0.43) | F2ALDH1A1LMNAMAPTNFKB1 | |
| SCHEMBL9297863 | 0.78 | HDAC6 (0.59) | HDAC6GMNNALDH1A1LMNACYP2D6 | |
| SCHEMBL9013207 | 0.77 | CA12 (0.55) | HDAC6GMNNALDH1A1LMNACYP2D6 | |
| SCHEMBL9012800 | 0.77 | CA12 (0.55) | HDAC6GMNNALDH1A1LMNACYP2D6 |
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 |