Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | RORC | P51449 | 1/20 | 0.42 |
| ▸ | GABRA1 | P14867 | 6/20 | 0.39 |
| ▸ | GABRB1 | P18505 | 4/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | RXRA | P19793 | 1/20 | 0.36 |
| ▸ | GABRB2 | P47870 | 4/20 | 0.35 |
| ▸ | ELANE | P08246 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.34 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11525827 | 0.94 | TSHR (0.50) | TSHRRORCGABRA1GABRB1RXRA | |
| SCHEMBL4907457 | 0.84 | GABRA1 (0.50) | TSHRGABRA1GABRB1CA1CA2 | |
| SCHEMBL28714084 | 0.80 | TSHR (0.42) | TSHRRORCRXRAHPGDUSP2 | |
| SCHEMBL5381019 | 0.78 | TSHR (0.48) | TSHRRORCGABRA1GABRB1CA1 | |
| SCHEMBL28707809 | 0.77 | GABRA1 (0.41) | TSHRRORCGABRA1RXRAGABRB2 | |
| SCHEMBL10849200 | 0.77 | TSHR (0.47) | TSHRRORCRXRAHPGDUSP2 | |
| SCHEMBL28714106 | 0.74 | TYR (0.42) | TSHRRORCALDH1A1GAAALOX15 | |
| SCHEMBL4923781 | 0.73 | ADRB2 (0.42) | CYP3A4 | |
| SCHEMBL122882 | 0.72 | RORC (0.61) | TSHRRORCCA1CA2HPGD | |
| SCHEMBL28622220 | 0.72 | TSHR (0.52) | TSHRRORCHPGDUSP2ALDH1A1 |
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 |