Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IKBKB | O14920 | 3/20 | 0.54 |
| ▸ | CHUK | O15111 | 3/20 | 0.54 |
| ▸ | IKBKE | Q14164 | 2/20 | 0.54 |
| ▸ | PKMYT1 | Q99640 | 1/20 | 0.54 |
| ▸ | G6PD | P11413 | 1/20 | 0.50 |
| ▸ | CASP7 | P55210 | 1/20 | 0.50 |
| ▸ | CASP6 | P55212 | 1/20 | 0.50 |
| ▸ | HNF4A | P41235 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | THRB | P10828 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | KDM6B | O15054 | 1/20 | 0.44 |
| ▸ | KDM4A | O75164 | 1/20 | 0.44 |
| ▸ | KDM4D | Q6B0I6 | 1/20 | 0.44 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL17744826 | 0.87 | G6PD (0.59) | G6PDCASP7CASP6HNF4AALDH1A1 | |
| SCHEMBL7143118 | 0.86 | CHUK (0.61) | IKBKBCHUKIKBKEPKMYT1MAPT | |
| SCHEMBL758071 | 0.85 | HNF4A (0.63) | IKBKBCHUKIKBKEPKMYT1G6PD | |
| SCHEMBL17744805 | 0.82 | CASP7 (0.53) | G6PDCASP7CASP6HNF4AALDH1A1 | |
| SCHEMBL6794827 | 0.82 | ALDH1A1 (0.60) | IKBKBCHUKIKBKEPKMYT1HNF4A | |
| SCHEMBL9851131 | 0.81 | G6PD (0.65) | G6PDCASP7CASP6HNF4AALDH1A1 | |
| SCHEMBL8109600 | 0.81 | HNF4A (0.49) | IKBKBCHUKIKBKEPKMYT1HNF4A | |
| SCHEMBL17744770 | 0.80 | G6PD (0.55) | IKBKBG6PDCASP7CASP6HNF4A | |
| SCHEMBL15567698 | 0.80 | IKBKB (0.48) | IKBKBCHUKIKBKEPKMYT1HNF4A | |
| SCHEMBL29184001 | 0.79 | G6PD (0.50) | IKBKBCHUKG6PDCASP7CASP6 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104781251-B | Can as kinase modulator through the substituted pyridinyl compounds of bicyclic heterocycle | 百时美施贵宝公司 | 2016-12-14 | — | — | CN | disclosed |