Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.32 |
| ▸ | NLRP3 | Q96P20 | 2/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL23507799 | 0.70 | CYP3A4 (0.46) | CYP3A4ALDH1A1LMNAHSD17B10NLRP3 | |
| SCHEMBL14267787 | 0.68 | — | — | |
| SCHEMBL14855693 | 0.67 | — | — | |
| SCHEMBL1141683 | 0.66 | ALDH1A1 (0.47) | CYP3A4ALDH1A1LMNAHSD17B10PTPN1 | |
| SCHEMBL8061402 | 0.66 | ALDH1A1 (0.43) | CYP3A4ALDH1A1HSD17B10NLRP3CYP1A2 | |
| SCHEMBL13034171 | 0.63 | CYP3A4 (0.82) | CYP3A4ALDH1A1LMNAHSD17B10CYP1A2 | |
| SCHEMBL6128389 | 0.63 | — | — | |
| SCHEMBL21853584 | 0.63 | GSTP1 (0.54) | CYP3A4ALDH1A1LMNAHSD17B10PTPN1 | |
| SCHEMBL15128314 | 0.63 | PTPN1 (0.46) | CYP3A4ALDH1A1LMNAHSD17B10PTPN1 | |
| SCHEMBL8512166 | 0.63 | CYP3A4 (0.42) | CYP3A4ALDH1A1LMNAHSD17B10NLRP3 |
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-2010017418-A1 | PRODRUGS OF FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE | SEPRACOR INC. (US) | 2010-02-11 | — | — | WO | disclosed |