Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | CES2 | O00748 | 4/20 | 0.34 |
| ▸ | CES1 | P23141 | 4/20 | 0.34 |
| ▸ | ACHE | P22303 | 2/20 | 0.34 |
| ▸ | PPARD | Q03181 | 2/20 | 0.34 |
| ▸ | PPARA | Q07869 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Pyrazinoic Acid SCHEMBL7867511 | 0.84 | POLB (0.42) | CYP3A4TSHRSMN1; SMN2MAPTALDH1A1 | |
| SCHEMBL93286 | 0.75 | CYP3A4 (0.56) | CYP3A4TSHRGAATRPA1CES2 | |
| SCHEMBL29647925 | 0.74 | CYP3A4 (0.48) | CYP3A4TSHRGAATRPA1CES2 | |
| Hydrogen Sulfide SCHEMBL27351182 | 0.73 | CYP3A4 (0.54) | CYP3A4TSHRTRPA1CES2CES1 | |
| Phenylacetic Acid SCHEMBL7876354 | 0.73 | AKR1B1 (0.53) | CYP3A4TSHRGAAL3MBTL1CES2 | |
| Ethyl Acetate SCHEMBL28168612 | 0.72 | LMNA (0.47) | CYP3A4TSHRGAATRPA1L3MBTL1 | |
| SCHEMBL7876125 | 0.72 | ALDH1A1 (0.41) | GAAALDH1A1HSD17B10KMT2ASTAT3 | |
| SCHEMBL11151377 | 0.71 | CYP3A4 (0.48) | CYP3A4TSHRTRPA1CES2CES1 | |
| Methylene Chloride SCHEMBL28742398 | 0.71 | CYP3A4 (0.54) | CYP3A4TSHRGAATRPA1ACHE | |
| SCHEMBL7406335 | 0.71 | ALOX15 (0.55) | CYP3A4TSHRPPARDSMN1; SMN2MAPT |
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-6316623-B1 | USEFUL FOR SCREENING IN BIOLOGICAL ASSAYS IN ORDER TO IDENTIFY PHARMACEUTICALLY USEFUL COMPOUNDS | ISIS PHARMACEUTICALS, INC. | 2001-11-13 | — | — | US | disclosed |