Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | P2RY6 | Q15077 | 1/20 | 0.38 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | MMP1 | P03956 | 1/20 | 0.36 |
| ▸ | MMP2 | P08253 | 1/20 | 0.36 |
| ▸ | MMP3 | P08254 | 1/20 | 0.36 |
| ▸ | MMP9 | P14780 | 1/20 | 0.36 |
| ▸ | MMP8 | P22894 | 1/20 | 0.36 |
| ▸ | MMP14 | P50281 | 1/20 | 0.36 |
| ▸ | MMP25 | Q9NPA2 | 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 | |
|---|---|---|---|---|
| SCHEMBL29200032 | 0.84 | P2RY6 (0.59) | CYP3A4CYP2D6CYP2C9HSD17B10TSHR | |
| SCHEMBL7504954 | 0.82 | HSD17B10 (0.53) | CYP3A4HSD17B10TSHRHPGDCA2 | |
| SCHEMBL9328426 | 0.82 | HSD17B10 (0.53) | CYP3A4HSD17B10TSHRHPGDCA2 | |
| SCHEMBL9508729 | 0.80 | HSD17B10 (0.52) | CYP3A4HSD17B10TSHRHPGDCA2 | |
| SCHEMBL29305830 | 0.80 | P2RY6 (0.54) | CYP3A4CYP2D6CYP2C9HSD17B10TSHR | |
| SCHEMBL7652716 | 0.79 | P2RY6 (0.58) | CYP3A4CYP2D6CYP2C9HSD17B10TSHR | |
| SCHEMBL9333000 | 0.79 | HSD17B10 (0.47) | CYP3A4HSD17B10TSHRHPGDCA2 | |
| SCHEMBL9327020 | 0.79 | HSD17B10 (0.59) | CYP3A4HSD17B10TSHRHPGDCA2 | |
| SCHEMBL9328415 | 0.79 | HSD17B10 (0.50) | CYP3A4HSD17B10TSHRHPGDCA2 | |
| SCHEMBL4650975 | 0.79 | HSD17B10 (0.50) | CYP3A4HSD17B10TSHRHPGDCA2 |
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-112779023-B | Liquid crystal compound for high-frequency device | DIC株式会社 | 2024-03-01 | — | — | CN | disclosed |