Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | MMP1 | P03956 | 1/20 | 0.34 |
| ▸ | MMP8 | P22894 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 2/20 | 0.34 |
| ▸ | CA7 | P43166 | 2/20 | 0.34 |
| ▸ | CA9 | Q16790 | 2/20 | 0.34 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.34 |
| ▸ | ANPEP | P15144 | 1/20 | 0.32 |
| ▸ | DNPEP | Q9ULA0 | 1/20 | 0.32 |
| ▸ | ADH1B | P00325 | 1/20 | 0.31 |
| ▸ | ADH1C | P00326 | 1/20 | 0.31 |
| ▸ | ADH1A | P07327 | 1/20 | 0.31 |
| ▸ | SCN1A | P35498 | 1/20 | 0.31 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.31 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4627051 | 0.79 | — | — | |
| SCHEMBL27492429 | 0.78 | CYP2D6 (0.44) | CYP2D6CYP2C19MMP1MMP8CA12 | |
| SCHEMBL7004223 | 0.76 | — | — | |
| SCHEMBL27860822 | 0.76 | HTT (0.39) | HTT | |
| Hydrochloric Acid SCHEMBL28227999 | 0.74 | CYP2D6 (0.41) | CYP2D6CYP2C19MMP1MMP8CA12 | |
| SCHEMBL28683484 | 0.73 | CYP2D6 (0.30) | CYP2D6CYP2C19 | |
| SCHEMBL27270525 | 0.73 | HTT (0.37) | HTTMMP1 | |
| SCHEMBL27762872 | 0.73 | MMP1 (0.41) | CYP2D6CYP2C19MMP1MMP8CA12 | |
| Ammonia Solution, Strong SCHEMBL27695584 | 0.71 | MMP1 (0.39) | CYP2D6CYP2C19MMP1MMP8CA12 | |
| SCHEMBL943051 | 0.70 | CYP2D6 (0.37) | CYP2D6CYP2C19MMP1MMP8CA12 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1244575-C | Sulfonylalkylamido hydroxyethylamino sulfonamide retroviral protease inhibitors | SEARLE & CO (US) | 2006-03-08 | — | — | CN | disclosed |
| CN-1204144-C | Amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors | SEARLE & CO (US) | 2005-06-01 | — | — | CN | disclosed |
| CN-1178954-C | Bis-amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors | G��D��ɪ����˾ | 2004-12-08 | — | — | CN | disclosed |
| CN-1196732-A | Bis-amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors | SEARLE & CO (US) | 1998-10-21 | — | — | CN | disclosed |
| CN-1186499-A | Amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors | SEARLE & CO (US) | 1998-07-01 | — | — | CN | disclosed |
| CN-1183767-A | Sulfonylalkanoylamino hydroxyethylamino sulfonamide retroviral protease inhibitors | SEARLE & CO (US) | 1998-06-03 | — | — | CN | disclosed |