Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APEX1 | P27695 | 1/20 | 0.40 |
| ▸ | CES1 | P23141 | 2/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.35 |
| ▸ | PPARG | P37231 | 7/20 | 0.35 |
| ▸ | PPARD | Q03181 | 7/20 | 0.35 |
| ▸ | PPARA | Q07869 | 7/20 | 0.35 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.35 |
| ▸ | TSHR | P16473 | 4/20 | 0.35 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.35 |
| ▸ | TLR2 | O60603 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | FABP4 | P15090 | 2/20 | 0.35 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.35 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8348270 | 0.92 | GPR84 (0.47) | APEX1CES1CES2ALDH1A1AKR1B1 | |
| SCHEMBL2747280 | 0.88 | HDAC3 (0.39) | CES1CES2ALDH1A1AKR1B1TSHR | |
| SCHEMBL6129259 | 0.86 | ALOX15 (0.38) | APEX1ALDH1A1TSHRMEN1ALOX15 | |
| SCHEMBL9811727 | 0.82 | ALDH1A1 (0.45) | APEX1CES1CES2ALDH1A1AKR1B1 | |
| SCHEMBL22167972 | 0.82 | APEX1 (0.39) | APEX1CES1CES2ALDH1A1AKR1B1 | |
| SCHEMBL1561800 | 0.82 | CAMK2A (0.41) | GPR84TSHRFFAR1FFAR4 | |
| SCHEMBL8568253 | 0.81 | ALDH1A1 (0.43) | APEX1ALDH1A1AKR1B1GPR84PPARG | |
| SCHEMBL554213 | 0.81 | TSHR (0.48) | APEX1CES1CES2ALDH1A1AKR1B1 | |
| SCHEMBL147035 | 0.81 | TSHR (0.48) | APEX1CES1CES2ALDH1A1AKR1B1 | |
| SCHEMBL147034 | 0.81 | TSHR (0.48) | APEX1CES1CES2ALDH1A1AKR1B1 |
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-5574117-A | SULFUR COMPOUND | NIPPON SHOKUBAI CO., LTD. (JP) | 1996-11-12 | — | — | US | disclosed |