Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 9/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | PYGL | P06737 | 1/20 | 0.32 |
| ▸ | PYGM | P11217 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 8/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | ABCC9 | O60706 | 1/20 | 0.31 |
| ▸ | KCNJ11 | Q14654 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 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 | |
|---|---|---|---|---|
| SCHEMBL8080875 | 0.86 | ADORA2B (0.41) | SLC6A3TSHRPYGLPYGMNPSR1 | |
| SCHEMBL9829012 | 0.79 | KDM4E (0.33) | TSHRCYP1A2CYP3A4MAPTCYP2C9 | |
| SCHEMBL9690849 | 0.77 | KDM4E (0.39) | NPSR1LMNA | |
| SCHEMBL9829022 | 0.73 | PYGL (0.48) | PYGLPYGM | |
| SCHEMBL9828158 | 0.71 | PYGM (0.35) | PYGLPYGM | |
| SCHEMBL10653759 | 0.70 | CYP3A4 (0.39) | SLC6A3TSHRPYGLPYGMCYP3A4 | |
| SCHEMBL9045340 | 0.70 | PYGL (0.36) | SLC6A3TSHRPYGLPYGMCYP1A2 | |
| SCHEMBL9827653 | 0.70 | PYGM (0.35) | PYGLPYGM | |
| SCHEMBL10968852 | 0.69 | PYGM (0.37) | TSHRPYGLPYGM | |
| SCHEMBL8441182 | 0.69 | NPSR1 (0.44) | SLC6A3TSHRSLC6A4NPSR1LMNA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0705830-A1 | 2,3-Cyclic condensed 1,4-dihydropyridines, process for their preparation and their use as K-channel modulators | BAYER AG (DE) | 1996-04-10 | — | — | EP | disclosed |