Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 1/20 | 0.32 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.32 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.32 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.30 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL8745600 | 1.00 | CHRM2 (0.32) | CHRM2CHRM4CHRM3EPHX1SLC6A2 | |
| SCHEMBL8745559 | 0.84 | EPHX1 (0.33) | EPHX1 | |
| SCHEMBL8745556 | 0.84 | EPHX1 (0.33) | EPHX1 | |
| SCHEMBL5528654 | 0.75 | CHRM2 (0.44) | CHRM2CHRM4CHRM3EPHX1CYP3A4 | |
| SCHEMBL14518632 | 0.73 | CHRM2 (0.41) | CHRM2CHRM4CHRM3EPHX1CYP3A4 | |
| SCHEMBL14252585 | 0.72 | CHRM2 (0.40) | CHRM2CHRM4CHRM3EPHX1CYP3A4 | |
| SCHEMBL8745551 | 0.70 | TSHR (0.32) | CYP3A4CYP1A2CYP2D6TSHRMAPK1 | |
| SCHEMBL8745555 | 0.70 | TSHR (0.32) | CYP3A4CYP1A2CYP2D6TSHRMAPK1 | |
| SCHEMBL28517498 | 0.69 | CHRM2 (0.44) | CHRM2CHRM4CHRM3CYP3A4CYP1A2 | |
| SCHEMBL27013380 | 0.69 | CHRM2 (0.40) | CHRM2CHRM4CHRM3EPHX1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0482410-B1 | Anti-microbial compounds, including substituted 2-cyclohexyl-amine derivatives and their preparation | BAYER AG (DE) | 1997-02-05 | — | — | EP | disclosed |
| EP-0482410-A2 | Anti-microbial compounds, including substituted 2-cyclohexyl-amine derivatives and their preparation | BAYER AG (DE) | 1992-04-29 | — | — | EP | disclosed |