Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 9/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.31 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL20498427 | 0.79 | SLC6A3 (0.38) | SLC6A3ALDH1A1TSHRMAPK1NPSR1 | |
| SCHEMBL5155166 | 0.79 | SLC6A3 (0.40) | SLC6A3ALDH1A1TSHRMAPK1NPSR1 | |
| SCHEMBL20502514 | 0.79 | GAA (0.39) | SLC6A3ALDH1A1TSHRMAPK1NPSR1 | |
| SCHEMBL20497555 | 0.78 | SLC6A3 (0.36) | SLC6A3ALDH1A1TSHRMAPK1NPSR1 | |
| Hydrochloric Acid SCHEMBL20502515 | 0.78 | GAA (0.38) | SLC6A3ALDH1A1TSHRMAPK1NPSR1 | |
| SCHEMBL736065 | 0.73 | GAA (0.44) | SLC6A3ALDH1A1TSHRPKMGAA | |
| SCHEMBL243565 | 0.70 | — | — | |
| SCHEMBL243566 | 0.67 | — | — | |
| SCHEMBL21393293 | 0.67 | — | — | |
| SCHEMBL5424325 | 0.67 | MAPT (0.33) | ALDH1A1MAPTKMT2ACYP3A4 |
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-1866277-A2 | SULFONYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | CELERA GENOMICS (US) | 2007-12-19 | — | — | EP | claimed |
| WO-2006102535-A2 | SULFONYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | CELERA GENOMICS (US) | 2006-09-28 | — | — | WO | claimed |
| EP-1866277-A2 | SULFONYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | CELERA GENOMICS (US) | 2007-12-19 | — | — | EP | disclosed |
| WO-2006102535-A2 | SULFONYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | CELERA GENOMICS (US) | 2006-09-28 | — | — | WO | disclosed |