Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | TYMP | P19971 | 3/20 | 0.39 |
| ▸ | ACHE | P22303 | 2/20 | 0.39 |
| ▸ | BACE1 | P56817 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.38 |
| ▸ | ESR1 | P03372 | 2/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.38 |
| ▸ | TACR2 | P21452 | 2/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | SHBG | P04278 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL2381790 | 1.00 | THRB (0.44) | THRBTSHRMAPTTYMPACHE | |
| SCHEMBL9122570 | 0.97 | TSHR (0.39) | THRBTSHRMAPTTYMPACHE | |
| SCHEMBL8010899 | 0.89 | ALOX5 (0.43) | ACHEPTGS2ESR1ADRA2AADORA3 | |
| SCHEMBL9015819 | 0.88 | NPC1 (0.41) | THRBTSHRMAPTTYMPKDM4E | |
| SCHEMBL9120770 | 0.84 | TSHR (0.40) | THRBTSHRMAPTTYMPACHE | |
| SCHEMBL9120676 | 0.84 | TSHR (0.40) | THRBTSHRMAPTTYMPACHE | |
| SCHEMBL17008157 | 0.82 | TSHR (0.57) | THRBTSHRTYMPACHEPTGS2 | |
| SCHEMBL9124568 | 0.81 | CYP19A1 (0.37) | THRBTSHRMAPTTYMPACHE | |
| SCHEMBL21286973 | 0.80 | NPC1 (0.39) | THRBTSHRTYMPKDM4ELMNA | |
| SCHEMBL5679424 | 0.78 | TSHR (0.50) | THRBTSHRTYMPACHEPTGS2 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5385721-A | X-ray radiology and computer tomography; uniform coating of the soft tissues; medical diagnosis | STERLING WINTHROP INC. (US) | 1995-01-31 | — | — | US | claimed |
| EP-0609589-A2 | Compositions of alkylbenzenes in film-forming materials for visualization of the gastrointestinal tract | NYCOMED IMAGING AS (NO) | 1994-08-10 | — | — | EP | claimed |
| EP-0609588-A2 | Compositions of alkylbenzenes for visualization of the gastrointestinal tract | NYCOMED IMAGING AS (NO) | 1994-08-10 | — | — | EP | claimed |
| US-5334370-A | X-ray contrast mixtures for diagnostic radiology consisting of iodo alkylbenzene, a polysaccharide salt or a anionic polymers | STERLING WINTHROP INC. (US) | 1994-08-02 | — | — | US | claimed |
| US-5308607-A | FOR USE IN DIAGNOSTIC RADIOLOGY | STERLING WINTHROP INC. (US) | 1994-05-03 | — | — | US | claimed |
| EP-0746339-A1 | X-RAY CONTRAST COMPOSITIONS CONTAINING CELLULOSE DERIVATIVES | NYCOMED IMAGING AS (NO) | 1996-12-11 | — | — | EP | disclosed |
| WO-1995022995-A1 | X-RAY CONTRAST COMPOSITIONS CONTAINING CELLULOSE DERIVATIVES | NYCOMED IMAGING A/S (NO) | 1995-08-31 | — | — | WO | disclosed |
| EP-0609589-A2 | Compositions of alkylbenzenes in film-forming materials for visualization of the gastrointestinal tract | NYCOMED IMAGING AS (NO) | 1994-08-10 | — | — | EP | disclosed |
| EP-0609588-A2 | Compositions of alkylbenzenes for visualization of the gastrointestinal tract | NYCOMED IMAGING AS (NO) | 1994-08-10 | — | — | EP | disclosed |
| US-5334370-A | X-ray contrast mixtures for diagnostic radiology consisting of iodo alkylbenzene, a polysaccharide salt or a anionic polymers | STERLING WINTHROP INC. (US) | 1994-08-02 | — | — | US | disclosed |
| US-5308607-A | FOR USE IN DIAGNOSTIC RADIOLOGY | STERLING WINTHROP INC. (US) | 1994-05-03 | — | — | US | disclosed |