Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | MGAM | O43451 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | SI | P14410 | 1/20 | 0.40 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.36 |
| ▸ | MMP1 | P03956 | 1/20 | 0.34 |
| ▸ | MMP2 | P08253 | 1/20 | 0.34 |
| ▸ | MMP3 | P08254 | 1/20 | 0.34 |
| ▸ | MMP9 | P14780 | 1/20 | 0.34 |
| ▸ | MMP13 | P45452 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | TET2 | Q6N021 | 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 | |
|---|---|---|---|---|
| SCHEMBL9078516 | 1.00 | TSHR (0.43) | TSHRCYP2D6HSD17B10MGAMGAA | |
| SCHEMBL5576930 | 0.87 | TSHR (0.50) | TSHRCYP2D6HSD17B10MGAMGAA | |
| SCHEMBL2536723 | 0.85 | TSHR (0.43) | TSHRCYP2D6HSD17B10MGAMGAA | |
| Ammonia Solution, Strong SCHEMBL28006948 | 0.83 | TSHR (0.42) | TSHRCYP2D6HSD17B10MGAMGAA | |
| SCHEMBL10810621 | 0.82 | TSHR (0.54) | TSHRCYP2D6HSD17B10MGAMGAA | |
| SCHEMBL13305751 | 0.81 | TSHR (0.40) | TSHRCYP2D6HSD17B10MGAMGAA | |
| SCHEMBL4298984 | 0.79 | ABCB1 (0.39) | TSHRCYP2D6HSD17B10MGAMGAA | |
| Hydrochloric Acid SCHEMBL15209909 | 0.79 | TSHR (0.39) | TSHRCYP2D6HSD17B10MGAMGAA | |
| Hydrochloric Acid SCHEMBL15209911 | 0.79 | TSHR (0.39) | TSHRCYP2D6HSD17B10MGAMGAA | |
| SCHEMBL55045 | 0.79 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113652407-B | Carbonyl reductase mutant and application thereof in asymmetric synthesis of chiral compound | 浙江工业大学 | 2024-01-16 | — | — | CN | disclosed |
| WO-2010061787-A1 | BEAUVERIOLIDE HAVING ACAT-2 INHIBITORY ACTIVITY | 学校法人北里研究所 (JP) | 2010-06-03 | — | — | WO | disclosed |
| EP-1019386-A1 | REVERSE HYDROXAMATE DERIVATIVES AS METALLOPROTEASE INHIBITORS | GLAXO GROUP LIMITED (GB) | 2000-07-19 | — | — | EP | disclosed |
| WO-1998038179-A1 | REVERSE HYDROXAMATE DERIVATIVES AS METALLOPROTEASE INHIBITORS | GLAXO GROUP LIMITED (GB) | 1998-09-03 | — | — | WO | disclosed |