Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 2/20 | 0.41 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | RORC | P51449 | 1/20 | 0.38 |
| ▸ | RXRA | P19793 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.32 |
| ▸ | ELANE | P08246 | 1/20 | 0.31 |
| ▸ | CTSG | P08311 | 1/20 | 0.31 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.30 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.30 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28714084 | 0.85 | TSHR (0.42) | TSHRRORCRXRAALOX15USP2 | |
| SCHEMBL11525827 | 0.82 | TSHR (0.50) | GABRA1TSHRRORCRXRAALOX15 | |
| SCHEMBL28719467 | 0.80 | GABRA1 (0.48) | GABRA1GABRB2TSHRALOX15ALOX12 | |
| SCHEMBL28714106 | 0.79 | TYR (0.42) | TSHRRORCALOX15ALDH1A1GAA | |
| SCHEMBL28937232 | 0.77 | TSHR (0.45) | GABRA1GABRB2TSHRRORCRXRA | |
| SCHEMBL17187961 | 0.72 | GABRA1 (0.60) | GABRA1GABRB2ALOX15ALOX12ELANE | |
| SCHEMBL10849200 | 0.71 | TSHR (0.47) | TSHRRORCRXRAALOX15USP2 | |
| SCHEMBL14087094 | 0.69 | ALOX5 (0.47) | TSHRRORCALOX15ALDH1A1GAA | |
| SCHEMBL122882 | 0.67 | RORC (0.61) | TSHRRORCALOX15USP2ALDH1A1 | |
| SCHEMBL28622220 | 0.67 | TSHR (0.52) | TSHRRORCALOX15USP2ALDH1A1 |
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-113491680-A | Application of catechol and derivatives in preparation of drugs for treating sleep disorders | 西安力邦肇新生物科技有限公司 | 2021-10-12 | — | — | CN | disclosed |