Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.42 |
| ▸ | ATP4A | P20648 | 1/20 | 0.42 |
| ▸ | ATP4B | P51164 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.41 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.41 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL22837810 | 0.82 | LSS (0.50) | ALDH1A1KDM4ECYP2D6 | |
| SCHEMBL29969134 | 0.82 | LSS (0.50) | ALDH1A1KDM4ECYP2D6 | |
| SCHEMBL28513347 | 0.80 | CYP2D6 (0.41) | ALDH1A1KDM4ETDP1CYP2D6KCNE1 | |
| SCHEMBL7874084 | 0.80 | HTR1D (0.48) | SIGMAR1CYP2D6KCNE1KCNA5 | |
| SCHEMBL6803 | 0.80 | CYP2C19 (0.56) | ALDH1A1CYP2D6CYP3A4 | |
| SCHEMBL29379587 | 0.80 | CYP2C19 (0.56) | ALDH1A1CYP2D6CYP3A4 | |
| SCHEMBL19597644 | 0.79 | KCNA5 (0.47) | TDP1CYP2D6KCNE1KCNA5 | |
| SCHEMBL423447 | 0.78 | CYP2D6 (0.50) | KDM4ECYP2D6CYP3A4 | |
| SCHEMBL1268914 | 0.77 | NPC1 (0.44) | ALDH1A1KDM4ETDP1CYP2D6KCNE1 | |
| SCHEMBL29582311 | 0.77 | NPC1 (0.44) | ALDH1A1KDM4ETDP1CYP2D6KCNE1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6653326-B1 | For example, N-(2-hydroxy-3-(1-piperidinyl)propoxy)-3-pyridinecarboximidoyl chloride maleate; inducing gene expression of an eukaryotic cell under physiological stress; antiallergens; autoimmune diseases; cardiovascular disorders | BIOREX RESEARCH & DEVELOPMENT CO. (HU) | 2003-11-25 | — | — | US | disclosed |