Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.44 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.44 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.44 |
| ▸ | DRD2 | P14416 | 2/20 | 0.41 |
| ▸ | DRD4 | P21917 | 2/20 | 0.41 |
| ▸ | DRD1 | P21728 | 1/20 | 0.41 |
| ▸ | DRD5 | P21918 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | HTR5A | P47898 | 1/20 | 0.39 |
| ▸ | DPP4 | P27487 | 3/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.36 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.36 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.36 |
| ▸ | MCOLN1 | Q9GZU1 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL19230591 | 0.88 | DRD2 (0.43) | TAS1R3TAS1R1TAS1R2DRD2DRD4 | |
| SCHEMBL19230525 | 0.83 | TAS1R3 (0.46) | TAS1R3TAS1R1TAS1R2DRD2DRD4 | |
| SCHEMBL19230749 | 0.80 | TAS1R3 (0.33) | TAS1R3TAS1R1TAS1R2DRD2DRD4 | |
| SCHEMBL19230747 | 0.78 | NR1H4 (0.56) | — | |
| SCHEMBL19230597 | 0.77 | DRD2 (0.43) | DRD2DRD4DRD1DRD5DRD3 | |
| SCHEMBL27317222 | 0.73 | DRD2 (0.44) | DRD2DRD4DRD3HTR5ATSHR | |
| SCHEMBL19538256 | 0.72 | DPP4 (0.64) | DPP4 | |
| SCHEMBL19230604 | 0.71 | DRD2 (0.39) | TAS1R3TAS1R1TAS1R2DRD2DRD4 | |
| SCHEMBL19313488 | 0.70 | DPP4 (0.65) | DPP4TSHRKDM4EALDH1A1HSD17B10 | |
| SCHEMBL1180038 | 0.67 | TYK2 (0.57) | KDM4ECYP1A2CYP2D6CYP2C9CYP2C19 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108602811-B | FXR receptor agonists | 轩竹生物科技有限公司 | 2021-11-16 | — | — | CN | disclosed |
| WO-2017133521-A1 | FXR RECEPTOR AGONIST | 山东轩竹医药科技有限公司 | 2017-08-10 | — | — | WO | disclosed |