Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS1 | P29475 | 2/20 | 0.40 |
| ▸ | NOS2 | P35228 | 2/20 | 0.40 |
| ▸ | SHBG | P04278 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | ANPEP | P15144 | 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 | |
|---|---|---|---|---|
| SCHEMBL11127893 | 0.98 | NOS1 (0.39) | NOS1NOS2SHBGCYP1A2ANPEP | |
| SCHEMBL1524656 | 0.84 | NOS1 (0.47) | NOS1NOS2SHBGCYP1A2 | |
| SCHEMBL127965 | 0.83 | ALDH1A1 (0.42) | NOS1NOS2CYP1A2 | |
| SCHEMBL1114399 | 0.82 | NOS1 (0.46) | NOS1NOS2SHBGCYP1A2 | |
| SCHEMBL16553865 | 0.78 | — | — | |
| Formic Acid SCHEMBL27951877 | 0.78 | NOS1 (0.36) | NOS1NOS2 | |
| Oxirane SCHEMBL11123313 | 0.78 | ALDH1A1 (0.37) | CYP1A2 | |
| SCHEMBL16892514 | 0.77 | SHBG (0.44) | NOS1NOS2SHBGCYP1A2 | |
| Cyanide SCHEMBL27944309 | 0.76 | NOS1 (0.42) | NOS1NOS2SHBGCYP1A2 | |
| SCHEMBL15178076 | 0.75 | CNR2 (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-0072988-B1 | USE OF 1,3-DIALKYLCYCLOHEXANES AS COSMETICAL OIL COMPONENT | Henkel Kommanditgesellschaft auf Aktien (DE) | 1985-10-02 | — | — | EP | disclosed |
| US-4457944-A | REFATTING OILS | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 1984-07-03 | — | — | US | disclosed |
| EP-0072988-A1 | Use of 1,3-Dialkylcyclohexanes as cosmetical oil component | Henkel Kommanditgesellschaft auf Aktien (DE) | 1983-03-02 | — | — | EP | disclosed |