Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SRC | P12931 | 2/20 | 0.52 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | DRD3 | P35462 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.42 |
| ▸ | EDNRB | P24530 | 1/20 | 0.42 |
| ▸ | MC4R | P32245 | 1/20 | 0.42 |
| ▸ | MC3R | P41968 | 1/20 | 0.42 |
| ▸ | DRD2 | P14416 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.39 |
| ▸ | CTSD | P07339 | 1/20 | 0.38 |
| ▸ | BCAT2 | O15382 | 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 | |
|---|---|---|---|---|
| SCHEMBL4749781 | 0.82 | SRC (0.53) | SRCEPHX1SLC6A3LMNADRD3 | |
| SCHEMBL13619014 | 0.82 | SRC (0.70) | SRCEPHX1CYP2C19CYP2D6 | |
| SCHEMBL9706850 | 0.82 | SRC (0.70) | SRCEPHX1CYP2C19CYP2D6 | |
| SCHEMBL3514146 | 0.80 | SRC (0.52) | SRCEPHX1SLC6A3LMNADRD3 | |
| Hydrochloric Acid SCHEMBL27793593 | 0.80 | SRC (0.52) | SRCEPHX1SLC6A3LMNADRD3 | |
| Hydrochloric Acid SCHEMBL28043659 | 0.80 | SRC (0.52) | SRCEPHX1SLC6A3LMNADRD3 | |
| Hydrochloric Acid SCHEMBL6647673 | 0.78 | SRC (0.50) | SRCEPHX1LMNACYP2C19MAPK1 | |
| SCHEMBL5133327 | 0.77 | SRC (0.48) | SRCEPHX1SLC6A3LMNADRD3 | |
| SCHEMBL18189420 | 0.76 | EPHX1 (0.51) | SRCEPHX1CYP2C19CYP2D6CYP1A2 | |
| SCHEMBL19183147 | 0.76 | SRC (0.47) | SRCEPHX1SLC6A3LMNACYP2C19 |
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 |