Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 2/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | RET | P07949 | 2/20 | 0.36 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | CCL2 | P13500 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5823531 | 0.87 | CYP2D6 (0.41) | HTR2ACYP2D6KDM4EHSD17B10LMNA | |
| SCHEMBL7754656 | 0.82 | MEN1 (0.38) | KDM4EHSD17B10LMNATP53CYP3A4 | |
| Iodide SCHEMBL11463652 | 0.79 | MEN1 (0.36) | KDM4EHSD17B10LMNATP53CYP3A4 | |
| Hydrochloric Acid SCHEMBL11465934 | 0.79 | MEN1 (0.36) | KDM4EHSD17B10LMNATP53CYP3A4 | |
| SCHEMBL10481614 | 0.76 | CYP2D6 (0.42) | HTR2ACYP2D6KDM4EHSD17B10LMNA | |
| SCHEMBL224931 | 0.75 | GPR3 (0.41) | HTR2ACYP2D6LMNAMEN1KMT2A | |
| SCHEMBL29711937 | 0.75 | GPR3 (0.41) | HTR2ACYP2D6LMNAMEN1KMT2A | |
| SCHEMBL28245592 | 0.74 | TDP1 (0.34) | LMNAMEN1KMT2ASMN1; SMN2ALDH1A1 | |
| SCHEMBL27818816 | 0.73 | GPR3 (0.39) | HTR2ACYP2D6MEN1KMT2AALDH1A1 | |
| Hydrochloric Acid SCHEMBL27768859 | 0.73 | GPR3 (0.39) | HTR2ACYP2D6MEN1KMT2AALDH1A1 |
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-1098893-B1 | CYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF DYSLIPIDEMIA, ATHEROSCLEROSIS AND DIABETES, PHARMACEUTICAL COMPOSITIONS AND PREPARATION PROCESS | MERCK PATENT GMBH (DE) | 2003-03-26 | — | — | EP | disclosed |
| US-6528538-B1 | Reaction of 1,3-propanediol derivative with a ketone or aldehyde | MERCK PATENTGESELLSCHAFT (DE) | 2003-03-04 | — | — | US | disclosed |