Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 1/20 | 0.51 |
| ▸ | MCL1 | Q07820 | 11/20 | 0.47 |
| ▸ | KLK7 | P49862 | 1/20 | 0.46 |
| ▸ | HTRA1 | Q92743 | 1/20 | 0.43 |
| ▸ | MMP9 | P14780 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | GHSR | Q92847 | 2/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6945215 | 0.90 | ABCB1 (0.51) | ABCB1MCL1KLK7HTRA1MMP9 | |
| SCHEMBL6945211 | 0.90 | ABCB1 (0.51) | ABCB1MCL1KLK7HTRA1MMP9 | |
| SCHEMBL26604823 | 0.88 | ABCB1 (0.52) | ABCB1MCL1KLK7 | |
| SCHEMBL7287734 | 0.88 | ABCB1 (0.52) | ABCB1MCL1KLK7 | |
| SCHEMBL708629 | 0.88 | ABCB1 (0.52) | ABCB1MCL1KLK7 | |
| SCHEMBL949983 | 0.88 | ABCB1 (0.52) | ABCB1MCL1KLK7 | |
| SCHEMBL1448119 | 0.88 | ABCB1 (0.52) | ABCB1MCL1KLK7 | |
| SCHEMBL3179881 | 0.88 | ABCB1 (0.52) | ABCB1MCL1KLK7 | |
| SCHEMBL376159 | 0.88 | ABCB1 (0.52) | ABCB1MCL1KLK7 | |
| SCHEMBL708630 | 0.88 | ABCB1 (0.52) | ABCB1MCL1KLK7 |
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 |
|---|---|---|---|---|---|---|---|
| US-5552405-A | TREATMENT OF AIDS, ACTIVITY AGAINST RETROVIRUSES | BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH, INC. (CA) | 1996-09-03 | — | — | US | disclosed |
| EP-0560269-B1 | Substituted pyrrolidine derivatives as HIV protease inhibitors | BIO MEGA BOEHRINGER INGELHEIM (CA) | 1995-05-31 | — | — | EP | disclosed |
| EP-0560269-A1 | Substituted pyrrolidine derivatives as HIV protease inhibitors | BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) | 1993-09-15 | — | — | EP | disclosed |