Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | PDE2A | O00408 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | HTR3A | P46098 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.33 |
| ▸ | SRC | P12931 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | TLR4 | O00206 | 1/20 | 0.32 |
| ▸ | TLR2 | O60603 | 1/20 | 0.32 |
| ▸ | F10 | P00742 | 1/20 | 0.32 |
| ▸ | KDM5A | P29375 | 1/20 | 0.32 |
| ▸ | KDM2B | Q8NHM5 | 1/20 | 0.32 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8669942 | 0.80 | LMNA (0.40) | LMNATSHRHTTNPSR1FGFR1 | |
| SCHEMBL8669805 | 0.80 | GRM4 (0.38) | LMNATSHRHTTNPSR1FGFR1 | |
| SCHEMBL630973 | 0.77 | POLB (0.43) | LMNATSHRHTT | |
| SCHEMBL27561186 | 0.76 | POLB (0.42) | LMNATSHRHTT | |
| SCHEMBL636638 | 0.72 | CYP11B1 (0.50) | CYP2C9LMNATSHRHTT | |
| SCHEMBL8435843 | 0.72 | CYP2C9 (0.46) | CYP2C9LMNATSHRHTTSLC6A2 | |
| SCHEMBL9278063 | 0.68 | CYP2C9 (0.45) | CYP2C9SLC6A2SLC6A4HTR3AKCNH2 | |
| SCHEMBL9129897 | 0.68 | CYP2C9 (0.45) | CYP2C9SLC6A2SLC6A4HTR3AKCNH2 | |
| SCHEMBL8440142 | 0.67 | PKM (0.33) | LMNATSHRHTTNPSR1SLC6A4 | |
| SCHEMBL5634925 | 0.67 | MAPT (0.34) | MAPT |
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-5948789-A | ASYMMETRIC OXIDATION OF A PRO-CHIRAL SULPHIDE TO THE SINGLE ENANTIOMERS OR AN ENANTIOMERICALLY ENRICHED FORM OF THE CORRESPONDING SULPHOXIDE. OPTICALLY PURE SUBSTITUTED 2-(2-PYRIDINYLMETHYL-SULPHINYL)-1H-BENZIMIDAZOLES. | ASTRA AKTIEBOLAG (SE) | 1999-09-07 | — | — | US | disclosed |