Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 4/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL9214425 | 0.86 | ALDH1A1 (0.35) | — | |
| SCHEMBL4865559 | 0.71 | MEN1 (0.36) | SLC6A2SLC6A4SLC6A3CYP3A4CYP1A2 | |
| SCHEMBL8924136 | 0.71 | SLC6A4 (0.38) | SLC6A2SLC6A4SLC6A3CYP3A4CYP1A2 | |
| SCHEMBL8745551 | 0.69 | TSHR (0.32) | CYP3A4CYP1A2CYP2D6TSHRMAPK1 | |
| SCHEMBL8745555 | 0.69 | TSHR (0.32) | CYP3A4CYP1A2CYP2D6TSHRMAPK1 | |
| SCHEMBL4865847 | 0.68 | MEN1 (0.37) | SLC6A2SLC6A4SLC6A3CYP1A2TSHR | |
| SCHEMBL10851617 | 0.66 | ALDH1A1 (0.36) | SLC6A2SLC6A4SLC6A3CYP1A2TSHR | |
| SCHEMBL8745600 | 0.65 | CHRM2 (0.32) | SLC6A2CYP3A4CYP1A2CYP2D6TSHR | |
| SCHEMBL8745557 | 0.65 | CHRM2 (0.32) | SLC6A2CYP3A4CYP1A2CYP2D6TSHR | |
| SCHEMBL8745654 | 0.63 | KCNH2 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0376072-B1 | Fungicidal and herbicidal agents and substituted 2-cyclohexen-1-yl amine derivatives, and their preparation | BAYER AG (DE) | 1994-02-16 | — | — | EP | disclosed |
| EP-0478941-A1 | Pharmaceuticals containing substituted cyclohex-2-en-1-yl-amine derivatives and their use in combatting diseases | BAYER AG (DE) | 1992-04-08 | — | — | EP | disclosed |
| EP-0376072-A2 | Fungicidal and herbicidal agents and substituted 2-cyclohexen-1-yl amine derivatives, and their preparation | BAYER AG (DE) | 1990-07-04 | — | — | EP | disclosed |