Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 2/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.33 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29248863 | 0.86 | GAA (0.39) | SLC6A2SLC6A4CHRM2CHRM4CHRM3 | |
| SCHEMBL8960544 | 0.85 | SLC6A2 (0.41) | SLC6A2SLC6A4CHRM2CHRM4CHRM3 | |
| SCHEMBL8444550 | 0.84 | EPHX2 (0.44) | EPHX2SMN1; SMN2BRD4NPSR1TSHR | |
| SCHEMBL14864799 | 0.81 | MGAM (0.35) | EPHX2CHRM2CHRM4CHRM3BRD4 | |
| SCHEMBL30472636 | 0.81 | SLC6A2 (0.40) | SLC6A2SLC6A4CHRM2CHRM4CHRM3 | |
| SCHEMBL30472587 | 0.81 | SLC6A2 (0.40) | SLC6A2SLC6A4CHRM2CHRM4CHRM3 | |
| SCHEMBL1934486 | 0.81 | SLC6A2 (0.40) | SLC6A2SLC6A4CHRM2CHRM4CHRM3 | |
| SCHEMBL2295236 | 0.81 | SLC6A2 (0.40) | SLC6A2SLC6A4CHRM2CHRM4CHRM3 | |
| SCHEMBL24049354 | 0.81 | EPHX2 (0.36) | EPHX2BRD4NPSR1TSHR | |
| SCHEMBL12556399 | 0.79 | HDAC8 (0.40) | SLC6A2SLC6A4EPHX2CHRM2CHRM4 |
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 |
|---|---|---|---|---|---|---|---|
| US-5614486-A | DIETHYL 1,4-CYCLOHEXANEDICARBOXYLATE | FIRMENICH SA (CH) | 1997-03-25 | — | — | US | disclosed |