Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | CTSB | P07858 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.43 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.43 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.43 |
| ▸ | CCR6 | P51684 | 1/20 | 0.42 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.42 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL10556602 | 1.00 | ALDH1A1 (0.46) | ALDH1A1SLC6A2SLC6A3KMT2ATDP1 | |
| SCHEMBL10553829 | 0.88 | ALDH1A1 (0.44) | ALDH1A1SLC6A2SLC6A3KMT2ATDP1 | |
| SCHEMBL1812242 | 0.82 | ALDH1A1 (0.49) | ALDH1A1SLC6A2SLC6A3KMT2ATDP1 | |
| SCHEMBL10557878 | 0.82 | ALDH1A1 (0.49) | ALDH1A1SLC6A2SLC6A3KMT2ATDP1 | |
| SCHEMBL567436 | 0.82 | ABCB1 (0.51) | ALDH1A1SLC6A2SLC6A3KMT2ATDP1 | |
| SCHEMBL14304888 | 0.82 | ABCB1 (0.51) | ALDH1A1SLC6A2SLC6A3KMT2ATDP1 | |
| SCHEMBL10515353 | 0.82 | ALDH1A1 (0.49) | ALDH1A1SLC6A2SLC6A3KMT2ATDP1 | |
| SCHEMBL5229233 | 0.82 | ALDH1A1 (0.49) | ALDH1A1SLC6A2SLC6A3KMT2ATDP1 | |
| SCHEMBL3690405 | 0.82 | ALDH1A1 (0.40) | ALDH1A1SLC6A2SLC6A3KMT2ATDP1 | |
| SCHEMBL10558457 | 0.81 | ALDH1A1 (0.47) | ALDH1A1SLC6A2SLC6A3KMT2ATDP1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0601486-B1 | Cis-epoxide derivatives useful as irreversible HIV protease inhibitors and process and intermediates for their preparation | LUCKY LTD (KR) | 1997-10-29 | — | — | EP | claimed |
| EP-0601486-A1 | Cis-epoxide derivatives useful as irreversible HIV protease inhibitors and process and intermediates for their preparation | LUCKY LTD. (KR) | 1994-06-15 | — | — | EP | claimed |
| US-5696134-A | Irreversible HIV protease inhibitors, intermediates, compositions and processes for the preparation thereof | LG CHEMICAL LIMITED (KR) | 1997-12-09 | — | — | US | disclosed |
| EP-0687675-A2 | Irreversible HIV protease inhibitors, intermediates, compositions and processes for the preparation thereof | LG Chemical Limited (KR) | 1995-12-20 | — | — | EP | disclosed |