Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | XDH | P47989 | 1/20 | 0.57 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.57 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.53 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.53 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.53 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.53 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.53 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.53 |
| ▸ | MMP3 | P08254 | 3/20 | 0.50 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.50 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.50 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.50 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | ESR1 | P03372 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL322948 | 0.90 | MMP3 (0.63) | XDHSLC22A12PTPN5MMP3HSD17B1 | |
| SCHEMBL29425207 | 0.90 | GABRG2 (0.61) | XDHSLC22A12GABRG2GABRB3GABRA5 | |
| SCHEMBL270874 | 0.90 | GABRG2 (0.61) | XDHSLC22A12GABRG2GABRB3GABRA5 | |
| SCHEMBL30165928 | 0.88 | HSD17B1 (0.58) | XDHSLC22A12GABRG2GABRB3GABRA5 | |
| SCHEMBL1029016 | 0.88 | HSD17B1 (0.58) | XDHSLC22A12GABRG2GABRB3GABRA5 | |
| SCHEMBL18411383 | 0.88 | GABRG2 (0.59) | XDHSLC22A12GABRG2GABRB3GABRA5 | |
| SCHEMBL18411368 | 0.88 | GABRG2 (0.59) | XDHSLC22A12GABRG2GABRB3GABRA5 | |
| SCHEMBL27787243 | 0.85 | CLK4 (0.63) | XDHSLC22A12GABRG2GABRB3GABRA5 | |
| SCHEMBL29511815 | 0.84 | XDH (0.56) | XDHSLC22A12GABRG2GABRB3GABRA5 | |
| SCHEMBL20396126 | 0.84 | XDH (0.56) | XDHSLC22A12GABRG2GABRB3GABRA5 |
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-104822800-B | Double mesomorphic compounds and mesogenic media | 默克专利股份有限公司 | 2018-03-30 | — | — | CN | disclosed |
| CN-105579555-A | Compounds and mesogenic media | MERCK PATENT GMBH | 2016-05-11 | — | — | CN | disclosed |
| CN-104822800-A | BImesogenic compounds and mesogenic media | MERCK PATENT GMBH | 2015-08-05 | — | — | CN | disclosed |