Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 5/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL8745551 | 1.00 | TSHR (0.32) | TSHRCYP2C9CYP3A4CYP1A2CYP2D6 | |
| SCHEMBL9325733 | 0.74 | — | — | |
| SCHEMBL8926578 | 0.70 | CYP1A2 (0.37) | TSHRCYP2C9CYP3A4CYP1A2CYP2D6 | |
| SCHEMBL8745600 | 0.70 | CHRM2 (0.32) | TSHRCYP3A4CYP1A2CYP2D6HSD17B10 | |
| SCHEMBL8745557 | 0.70 | CHRM2 (0.32) | TSHRCYP3A4CYP1A2CYP2D6HSD17B10 | |
| SCHEMBL9325433 | 0.69 | SLC6A2 (0.33) | TSHRCYP3A4CYP1A2CYP2D6HSD17B10 | |
| SCHEMBL10458522 | 0.68 | CYP1A2 (0.38) | TSHRCYP2C9CYP3A4CYP1A2CYP2D6 | |
| SCHEMBL8926330 | 0.68 | CYP1A2 (0.36) | TSHRCYP2C9CYP3A4CYP1A2CYP2D6 | |
| SCHEMBL9170101 | 0.68 | TSHR (0.36) | TSHRCYP2C9CYP3A4CYP1A2CYP2D6 | |
| Hydrochloric Acid SCHEMBL8926643 | 0.67 | CYP1A2 (0.37) | TSHRCYP2C9CYP3A4CYP1A2CYP2D6 |
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 |