Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.45 |
| ▸ | DHFR | P00374 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 6/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | BLM | P54132 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.39 |
| ▸ | PIM1 | P11309 | 2/20 | 0.39 |
| ▸ | PIM2 | Q9P1W9 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.39 |
| ▸ | FABP1 | P07148 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.39 |
| ▸ | IKBKE | Q14164 | 1/20 | 0.38 |
| ▸ | TBK1 | Q9UHD2 | 1/20 | 0.38 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3713000 | 0.81 | GPBAR1 (0.45) | KMT2AMEN1FABP1CYP19A1CYP11B1 | |
| SCHEMBL3714746 | 0.81 | DHFR (0.42) | ALDH1A1DHFRHDAC6MAPTKMT2A | |
| SCHEMBL17066989 | 0.71 | FABP1 (0.43) | ALDH1A1FABP1GRM5 | |
| SCHEMBL3717729 | 0.71 | HDAC6 (0.40) | ALDH1A1DHFRHDAC6MAPTKMT2A | |
| SCHEMBL3723393 | 0.70 | GPBAR1 (0.46) | CYP19A1CYP11B1CYP11B2GRM5 | |
| SCHEMBL3721720 | 0.69 | GPBAR1 (0.54) | KMT2AMEN1PIM1PIM2CYP19A1 | |
| SCHEMBL14555811 | 0.69 | TDO2 (0.42) | ALDH1A1FABP1GRM5 | |
| SCHEMBL11142216 | 0.66 | ALDH1A1 (0.53) | ALDH1A1DHFRHDAC6MAPTKMT2A | |
| SCHEMBL15730170 | 0.66 | TDO2 (0.56) | ALDH1A1FABP1GRM5 | |
| SCHEMBL17666295 | 0.66 | MAPT (0.53) | ALDH1A1MAPTKMT2AMEN1HTT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010117090-A1 | NOVEL ISOQUINOLINYLOXYMETHYL HETEROARYL DERIVATIVES | BANYU PHARMACEUTICAL CO.,LTD. (JP) | 2010-10-14 | — | — | WO | claimed |
| WO-2010117090-A1 | NOVEL ISOQUINOLINYLOXYMETHYL HETEROARYL DERIVATIVES | BANYU PHARMACEUTICAL CO.,LTD. (JP) | 2010-10-14 | — | — | WO | disclosed |
| WO-2010117090-A1 | NOVEL ISOQUINOLINYLOXYMETHYL HETEROARYL DERIVATIVES | BANYU PHARMACEUTICAL CO.,LTD. (JP) | 2010-10-14 | — | — | WO | disclosed |