Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 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 | |
|---|---|---|---|---|
| Ether SCHEMBL335388 | 1.00 | TSHR (0.56) | TSHRALDH1A1MAPK1TDP1ALOX15 | |
| Ether SCHEMBL28161425 | 0.94 | TSHR (0.50) | TSHRALDH1A1ALOX15CYP2C9 | |
| Ether SCHEMBL8913501 | 0.92 | TSHR (0.47) | TSHRALDH1A1ALOX15CYP2C9 | |
| Ether SCHEMBL18985182 | 0.89 | TSHR (0.45) | TSHRALDH1A1ALOX15CYP2C9 | |
| Dimethylformamide SCHEMBL28207129 | 0.88 | TSHR (0.50) | TSHRALDH1A1ALOX15 | |
| Ether SCHEMBL28347512 | 0.87 | TSHR (0.43) | TSHRALDH1A1CYP2C9 | |
| Ether SCHEMBL27748257 | 0.87 | TSHR (0.43) | TSHR | |
| Dimethylformamide SCHEMBL10802383 | 0.86 | TSHR (0.47) | TSHRALDH1A1ALOX15 | |
| Ether SCHEMBL8895247 | 0.83 | TSHR (0.39) | TSHR | |
| Tetrahydrofuran SCHEMBL10573397 | 0.82 | TSHR (0.38) | TSHRALDH1A1 |
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-1948630-A2 | NOVEL COMPOUNDS | AstraZeneca AB (SE) | 2008-07-30 | — | — | EP | disclosed |
| WO-2007052023-A2 | NOVEL COMPOUNDS | ASTRAZENECA AB (SE) | 2007-05-10 | — | — | WO | disclosed |
| EP-1451179-A1 | PYRROLE SYNTHESIS | Ciba SC Holding AG (CH) | 2004-09-01 | — | — | EP | disclosed |
| WO-2003044011-A1 | PYRROLE SYNTHESIS | CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) | 2003-05-30 | — | — | WO | disclosed |