Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SPHK1 | Q9NYA1 | 4/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | CES2 | O00748 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | CES1 | P23141 | 1/20 | 0.31 |
| ▸ | TARS1 | P26639 | 1/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | PGR | P06401 | 1/20 | 0.31 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.31 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | HRH1 | P35367 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL27601754 | 0.88 | SLC7A5 (0.38) | LMNASLC6A3PGRADRA2AADRA2B | |
| SCHEMBL27338904 | 0.83 | ELANE (0.33) | ESR2HSD17B10L3MBTL1LMNASLC6A3 | |
| SCHEMBL27262005 | 0.83 | ELANE (0.33) | ESR2HSD17B10L3MBTL1LMNASLC6A3 | |
| SCHEMBL27643168 | 0.81 | LMNA (0.34) | ESR2HSD17B10L3MBTL1CES2LMNA | |
| SCHEMBL30309190 | 0.79 | LMNA (0.52) | HSD17B10L3MBTL1CES2LMNACES1 | |
| SCHEMBL4316411 | 0.79 | KDM4E (0.47) | ESR2HSD17B10L3MBTL1CES2LMNA | |
| SCHEMBL1714628 | 0.76 | CES2 (0.37) | L3MBTL1CES2LMNACES1 | |
| SCHEMBL27707450 | 0.76 | SLC7A5 (0.44) | SLC6A3 | |
| SCHEMBL28131090 | 0.75 | KMT2A (0.36) | ESR2HSD17B10L3MBTL1LMNASLC6A3 | |
| SCHEMBL27749830 | 0.74 | HDAC3 (0.37) | HSD17B10LMNASLC6A3PGRADRA2A |
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-20150310169-A1 | METABOLIC PROFILING IN TISSUE AND SERUM IS INDICATIVE OF TUMOR DIFFERENTIATION IN PROSTATE CANCER | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2015-10-29 | — | — | US | disclosed |