Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.32 |
| ▸ | CDC25B | P30305 | 2/20 | 0.32 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | MAP4K1 | Q92918 | 2/20 | 0.31 |
| ▸ | JAK3 | P52333 | 2/20 | 0.31 |
| ▸ | JAK2 | O60674 | 1/20 | 0.31 |
| ▸ | JAK1 | P23458 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL20045665 | 0.68 | CYP3A4 (0.39) | CYP3A4TSHRPIK3CAKCNH2ESR1 | |
| SCHEMBL11526228 | 0.68 | GAA (0.38) | CYP3A4TSHRKCNH2ALDH1A1GAA | |
| SCHEMBL30961659 | 0.68 | CYP3A4 (0.39) | CYP3A4TSHRPIK3CAKCNH2ESR1 | |
| SCHEMBL11523520 | 0.67 | CYP19A1 (0.40) | CYP3A4TSHRKCNH2ALDH1A1GAA | |
| SCHEMBL11591115 | 0.67 | TSHR (0.42) | CYP3A4TSHRPIK3CAKCNH2ESR1 | |
| SCHEMBL11113171 | 0.65 | HSD17B10 (0.34) | CYP3A4TSHRKCNH2HSD17B10ALDH1A1 | |
| SCHEMBL2886968 | 0.65 | CYP3A4 (0.59) | CYP3A4TSHRPIK3CAHSD17B10ALDH1A1 | |
| SCHEMBL6472907 | 0.64 | CYP3A4 (0.52) | CYP3A4TSHRPIK3CAKCNH2ESR1 | |
| SCHEMBL24865037 | 0.64 | SIGMAR1 (0.54) | TSHRKCNH2ALDH1A1HTTKDM4E | |
| SCHEMBL17847036 | 0.64 | CYP3A4 (0.38) | CYP3A4TSHRPIK3CAKCNH2ESR1 |
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-4259488-A | Bis-isoindoline pigments | CIBA-GEIGY CORPORATION (US) | 1981-03-31 | — | — | US | disclosed |