Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.61 |
| ▸ | CES1 | P23141 | 1/20 | 0.61 |
| ▸ | SRD5A2 | P31213 | 9/20 | 0.48 |
| ▸ | LMNA | P02545 | 3/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.48 |
| ▸ | HTT | P42858 | 2/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | ESR1 | P03372 | 1/20 | 0.48 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | BDKRB2 | P30411 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL187134 | 1.00 | CES2 (0.61) | CES2CES1SRD5A2LMNAMAPT | |
| SCHEMBL118227 | 0.91 | CES2 (0.77) | CES2CES1SRD5A2LMNAMAPT | |
| SCHEMBL7995493 | 0.91 | LMNA (0.55) | CES2CES1SRD5A2LMNAMAPT | |
| SCHEMBL10654851 | 0.91 | SRD5A2 (0.65) | CES2CES1SRD5A2ALDH1A1TSHR | |
| SCHEMBL2976204 | 0.89 | PTPN1 (0.55) | CES2CES1LMNAMAPTHPGD | |
| SCHEMBL1744667 | 0.89 | SRD5A2 (0.57) | CES2CES1SRD5A2LMNAMAPT | |
| SCHEMBL7013140 | 0.89 | ALDH1A1 (0.67) | CES2CES1SRD5A2LMNAHTT | |
| SCHEMBL8546874 | 0.87 | CES2 (0.60) | CES2CES1SRD5A2ALDH1A1KMT2A | |
| SCHEMBL9151945 | 0.85 | CES2 (0.69) | CES2CES1SRD5A2LMNAMAPT | |
| SCHEMBL9541280 | 0.84 | CES2 (0.62) | CES2CES1LMNAMAPTALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1993005028-A1 | RECEPTOR COMPOUNDS BASED ON 1,7-DIOXA-4,10-DIAZACYCLODODECANE | SCIMAT LIMITED (GB) | 1993-03-18 | — | — | WO | disclosed |