Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPRT1 | P00492 | 3/20 | 0.50 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.45 |
| ▸ | DRD2 | P14416 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.42 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.41 |
| ▸ | KDM1A | O60341 | 1/20 | 0.41 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL27546009 | 0.98 | HPRT1 (0.52) | HPRT1SLC6A4DRD2ALDH1A1HSD17B10 | |
| SCHEMBL7746921 | 0.96 | HPRT1 (0.50) | HPRT1SLC6A4DRD2ALDH1A1HSD17B10 | |
| SCHEMBL6567045 | 0.95 | HPRT1 (0.52) | HPRT1SLC6A4DRD2ALDH1A1HSD17B10 | |
| SCHEMBL497994 | 0.87 | SLC6A4 (0.56) | SLC6A4DRD2ALDH1A1HSD17B10TDP1 | |
| SCHEMBL28532229 | 0.86 | HPRT1 (0.47) | HPRT1SLC6A4DRD2ALDH1A1HSD17B10 | |
| SCHEMBL168782 | 0.85 | SLC6A4 (0.54) | SLC6A4DRD2ALDH1A1HSD17B10TDP1 | |
| SCHEMBL30032791 | 0.85 | SLC6A4 (0.54) | SLC6A4DRD2ALDH1A1HSD17B10TDP1 | |
| SCHEMBL4047901 | 0.85 | SLC6A4 (0.54) | SLC6A4DRD2ALDH1A1HSD17B10TDP1 | |
| SCHEMBL3968194 | 0.83 | SLC6A4 (0.56) | SLC6A4DRD2ALDH1A1HSD17B10TDP1 | |
| Methane SCHEMBL27919122 | 0.81 | SLC6A4 (0.51) | SLC6A4DRD2ALDH1A1HSD17B10TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021083336-A1 | USE OF BILE ACIDS AND DERIVATIVES THEREOF IN PREPARATION OF GPR39 AGONIST | 北京大学 | 2021-05-06 | — | — | WO | disclosed |