Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.56 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.56 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.46 |
| ▸ | ESR1 | P03372 | 2/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.39 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CSNK2A1 | P68400 | 2/20 | 0.38 |
| ▸ | BACE1 | P56817 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | CTRC | Q99895 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2745162 | 0.82 | CYP2A6 (0.68) | CYP2A6CYP2B6PTGS2ESR1ESR2 | |
| SCHEMBL12270243 | 0.75 | CYP2A6 (0.60) | CYP2A6CYP2B6PTGS2ESR1ESR2 | |
| SCHEMBL8440447 | 0.74 | RXRA (0.54) | — | |
| SCHEMBL17707845 | 0.73 | PTGS2 (0.56) | PTGS2ESR2ALDH1A1 | |
| SCHEMBL9672144 | 0.71 | CYP2A6 (0.56) | CYP2A6CYP2B6PTGS2ESR1ESR2 | |
| SCHEMBL544160 | 0.71 | CYP2A6 (0.56) | CYP2A6CYP2B6PTGS2ESR1ESR2 | |
| SCHEMBL3609702 | 0.71 | CYP2A6 (1.00) | CYP2A6CYP2B6PTGS2ESR1ESR2 | |
| SCHEMBL13271568 | 0.71 | CYP2A6 (0.56) | CYP2A6CYP2B6PTGS2ESR1ESR2 | |
| SCHEMBL31091243 | 0.71 | CYP2A6 (0.56) | CYP2A6CYP2B6PTGS2ESR1ESR2 | |
| SCHEMBL31618783 | 0.70 | CYP2A6 (0.65) | CYP2A6CYP2B6PTGS2ESR1ESR2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104011054-B | As the thieno of potassium channel inhibitors and Furanopyrimidines class and pyridines | 森申有限公司 | 2016-08-24 | — | — | CN | disclosed |
| EP-2780343-A1 | THIENO- AND FURO - PYRIMIDINES AND PYRIDINES, USEFUL AS POTASSIUM CHANNEL INHIBITORS | Xention Limited (GB) | 2014-09-24 | — | — | EP | disclosed |
| WO-2013072694-A1 | THIENO- AND FURO - PYRIMIDINES AND PYRIDINES, USEFUL AS POTASSIUM CHANNEL INHIBITORS | XENTION LIMITED (GB) | 2013-05-23 | — | — | WO | disclosed |