Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SPHK1 | Q9NYA1 | 2/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.48 |
| ▸ | HTT | P42858 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | TP53 | P04637 | 2/20 | 0.48 |
| ▸ | GMNN | O75496 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | THPO | P40225 | 1/20 | 0.48 |
| ▸ | MTOR | P42345 | 1/20 | 0.48 |
| ▸ | BLM | P54132 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | CETP | P11597 | 1/20 | 0.48 |
| ▸ | UBE2N | P61088 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.39 |
| ▸ | CSNK1E | P49674 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11033035 | 0.96 | SPHK1 (0.57) | SPHK1CYP2D6HTTLMNATP53 | |
| SCHEMBL10889461 | 0.89 | SPHK1 (0.43) | SPHK1CYP2D6HTTLMNATP53 | |
| SCHEMBL29751886 | 0.86 | SPHK1 (0.54) | SPHK1CYP2D6HTTLMNATP53 | |
| SCHEMBL14125799 | 0.86 | SPHK1 (0.54) | SPHK1CYP2D6HTTLMNATP53 | |
| SCHEMBL17506687 | 0.86 | SPHK1 (0.54) | SPHK1CYP2D6HTTLMNATP53 | |
| SCHEMBL14419885 | 0.85 | SPHK1 (0.50) | SPHK1CYP2D6HTTLMNATP53 | |
| SCHEMBL8298974 | 0.85 | SPHK1 (0.50) | SPHK1CYP2D6HTTLMNATP53 | |
| SCHEMBL27243094 | 0.84 | SPHK1 (0.58) | SPHK1CYP2D6HTTLMNATP53 | |
| SCHEMBL14125763 | 0.82 | SPHK1 (0.50) | SPHK1CYP2D6HTTLMNATP53 | |
| SCHEMBL17501649 | 0.81 | SPHK1 (0.60) | SPHK1CYP2D6HTTLMNATP53 |
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 |
|---|---|---|---|---|---|---|---|
| US-7168937-B2 | Method for the enzymatic resolution of the racemates of aminomethyl-aryl-cyclohexanol derivatives | GRUENENTHAL GMBH (DE) | 2007-01-30 | — | — | US | disclosed |
| US-20030186396-A1 | Method for the enzymatic resolution of the racemates of aminomethyl-aryl-cyclohexanol derivatives | ENDO PHARMACEUTICALS, INC. | 2003-10-02 | — | — | US | disclosed |