Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RXRB | P28702 | 2/20 | 0.49 |
| ▸ | RXRA | P19793 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | HAAO | P46952 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | MYC | P01106 | 1/20 | 0.43 |
| ▸ | RARB | P10826 | 1/20 | 0.42 |
| ▸ | GABRP | O00591 | 2/20 | 0.42 |
| ▸ | GABRD | O14764 | 2/20 | 0.42 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.42 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.42 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.42 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.42 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.42 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.42 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.42 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.42 |
| ▸ | GABRA4 | P48169 | 2/20 | 0.42 |
| ▸ | GABRE | P78334 | 2/20 | 0.42 |
| ▸ | GABRA6 | Q16445 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL14366361 | 0.84 | MCL1 (0.43) | CYP1A2HAAOALDH1A1MYCGABRP | |
| SCHEMBL13652578 | 0.81 | ALDH1A1 (0.48) | CYP1A2HAAOALDH1A1KDM4EHSD17B10 | |
| SCHEMBL30679777 | 0.79 | CSNK2A1 (0.59) | RXRBRXRAALDH1A1KDM4ECSNK2A1 | |
| SCHEMBL29399874 | 0.79 | MYC (0.58) | RXRBRXRACYP1A2ALDH1A1MYC | |
| SCHEMBL44342 | 0.79 | MYC (0.58) | RXRBRXRACYP1A2ALDH1A1MYC | |
| SCHEMBL29771992 | 0.79 | RXRB (0.70) | RXRBRXRACYP1A2RARBKDM4E | |
| SCHEMBL1498034 | 0.79 | RXRB (0.70) | RXRBRXRACYP1A2RARBKDM4E | |
| SCHEMBL107259 | 0.79 | CSNK2A1 (0.59) | RXRBRXRAALDH1A1KDM4ECSNK2A1 | |
| SCHEMBL6915656 | 0.77 | CSNK2A1 (0.57) | RXRBRXRAALDH1A1KDM4ECSNK2A1 | |
| Water SCHEMBL3832510 | 0.77 | MYC (0.56) | RXRBRXRACYP1A2ALDH1A1MYC |
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 |
|---|---|---|---|---|---|---|---|
| CN-108368083-B | Heteroaryl compounds and their use as therapeutic agents | 东亚首希控股股份有限公司 | 2022-02-01 | — | — | CN | disclosed |
| WO-2012029942-A1 | CYCLIC AMIDE DERIVATIVE | 大日本住友製薬株式会社 (JP) | 2012-03-08 | — | — | WO | disclosed |
| WO-2009126863-A2 | PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING | GENENTECH, INC. (US) | 2009-10-15 | — | — | WO | disclosed |