Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.61 |
| ▸ | DDR1 | Q08345 | 1/20 | 0.57 |
| ▸ | MEN1 | O00255 | 2/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.56 |
| ▸ | MAPT | P10636 | 1/20 | 0.56 |
| ▸ | ACP3 | P15309 | 1/20 | 0.53 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.52 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.51 |
| ▸ | MAOB | P27338 | 1/20 | 0.51 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.51 |
| ▸ | WNT3A | P56704 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | HTR2A | P28223 | 1/20 | 0.50 |
| ▸ | HTR2C | P28335 | 1/20 | 0.50 |
| ▸ | HTR2B | P41595 | 1/20 | 0.50 |
| ▸ | PRKCA | P17252 | 1/20 | 0.50 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | MLYCD | O95822 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL423797 | 0.92 | MEN1 (0.62) | CES2DDR1MEN1KMT2AMAPT | |
| SCHEMBL423798 | 0.92 | DDR1 (0.59) | CES2DDR1MEN1KMT2AMAPT | |
| SCHEMBL3282343 | 0.91 | CES2 (0.54) | CES2DDR1MEN1KMT2AMAPT | |
| SCHEMBL17581950 | 0.86 | CES2 (0.56) | CES2DDR1MEN1KMT2AMAPT | |
| SCHEMBL4024081 | 0.84 | MEN1 (0.51) | CES2MEN1KMT2AMAPTACP3 | |
| SCHEMBL4749524 | 0.84 | CES2 (0.54) | CES2DDR1MEN1KMT2AMAPT | |
| SCHEMBL2929610 | 0.84 | VNN1 (0.57) | CES2DDR1MEN1KMT2ASRD5A2 | |
| SCHEMBL11503483 | 0.84 | DDR1 (0.59) | CES2DDR1MAPTLMNAALDH1A1 | |
| SCHEMBL9602354 | 0.84 | MEN1 (0.57) | CES2MEN1KMT2AMAPT | |
| SCHEMBL9602346 | 0.84 | VNN1 (0.61) | CES2DDR1MEN1KMT2AALDH1A1 |
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 |