Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.38 |
| ▸ | SCN1A | P35498 | 1/20 | 0.38 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.38 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4622404 | 0.81 | ALDH1A1 (0.51) | ALDH1A1L3MBTL1MAPK1TDP1CYP3A4 | |
| SCHEMBL27859704 | 0.80 | ALDH1A1 (0.50) | ALDH1A1L3MBTL1MAPK1TDP1CYP3A4 | |
| SCHEMBL27859835 | 0.80 | ALDH1A1 (0.50) | ALDH1A1L3MBTL1MAPK1TDP1CYP3A4 | |
| Hydrochloric Acid SCHEMBL10636148 | 0.80 | ALDH1A1 (0.50) | ALDH1A1L3MBTL1MAPK1TDP1CYP3A4 | |
| SCHEMBL7440964 | 0.78 | ALDH1A1 (0.49) | ALDH1A1L3MBTL1MAPK1TDP1CYP3A4 | |
| SCHEMBL28366123 | 0.78 | ALDH1A1 (0.49) | ALDH1A1L3MBTL1MAPK1TDP1CYP3A4 | |
| SCHEMBL28362146 | 0.78 | ALDH1A1 (0.49) | ALDH1A1L3MBTL1MAPK1TDP1CYP3A4 | |
| SCHEMBL28004291 | 0.77 | ALDH1A1 (0.55) | ALDH1A1L3MBTL1MAPK1TDP1CYP3A4 | |
| SCHEMBL6393090 | 0.76 | ALDH1A1 (0.53) | ALDH1A1L3MBTL1MAPK1TDP1CYP3A4 | |
| SCHEMBL11640091 | 0.76 | ALDH1A1 (0.53) | ALDH1A1L3MBTL1MAPK1TDP1CYP3A4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0722439-A1 | HIV PROTEASE INHIBITORS | AGOURON PHARMACEUTICALS, INC. (US) | 1996-07-24 | — | — | EP | disclosed |