Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.59 |
| ▸ | BLM | P54132 | 2/20 | 0.59 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.59 |
| ▸ | MEN1 | O00255 | 1/20 | 0.59 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.59 |
| ▸ | GSR | P00390 | 1/20 | 0.59 |
| ▸ | TSHR | P16473 | 1/20 | 0.59 |
| ▸ | HTT | P42858 | 1/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.59 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.40 |
| ▸ | PDE4A | P27815 | 1/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | FDPS | P14324 | 15/20 | 0.36 |
| ▸ | PDE3A | Q14432 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | GGPS1 | O95749 | 7/20 | 0.35 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.34 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9713961 | 0.97 | ALDH1A1 (0.56) | ALDH1A1BLMPMP22MEN1ABCB11 | |
| SCHEMBL9013146 | 0.96 | ALDH1A1 (0.57) | ALDH1A1BLMPMP22MEN1ABCB11 | |
| SCHEMBL9013433 | 0.95 | ALDH1A1 (0.56) | ALDH1A1BLMPMP22MEN1ABCB11 | |
| SCHEMBL9012963 | 0.92 | ALDH1A1 (0.62) | ALDH1A1BLMPMP22MEN1ABCB11 | |
| SCHEMBL9012975 | 0.91 | ALDH1A1 (0.49) | ALDH1A1BLMPMP22MEN1ABCB11 | |
| SCHEMBL9013759 | 0.88 | ALDH1A1 (0.48) | ALDH1A1BLMPMP22MEN1ABCB11 | |
| SCHEMBL9012895 | 0.86 | ALDH1A1 (0.52) | ALDH1A1BLMPMP22MEN1ABCB11 | |
| SCHEMBL9012996 | 0.85 | ALDH1A1 (0.42) | ALDH1A1BLMPMP22MEN1ABCB11 | |
| SCHEMBL9013052 | 0.83 | ALDH1A1 (0.57) | ALDH1A1BLMPMP22MEN1ABCB11 | |
| SCHEMBL9012924 | 0.83 | ALDH1A1 (0.51) | ALDH1A1BLMPMP22MEN1ABCB11 |
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-0579656-B1 | GEM-DIPHOSPHONIC ACID NITROSOCARBAMOYL DERIVATIVES, A PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | BOEHRINGER MANNHEIM ITALIA (IT) | 1996-11-27 | — | — | EP | disclosed |
| US-5442102-A | Gem-diphosphonic acid nitrosocarbamoyl derivatives, a process for the preparation thereof and pharmaceutical compositions containing them | BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) | 1995-08-15 | — | — | US | disclosed |