Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.32 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.32 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.31 |
| ▸ | BCL2 | P10415 | 1/20 | 0.31 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9134829 | 0.85 | L3MBTL1 (0.41) | TSHRCYP2D6CYP2C19CYP3A4L3MBTL1 | |
| SCHEMBL7436705 | 0.82 | L3MBTL1 (0.37) | TSHRCYP2D6CYP2C19CYP3A4L3MBTL1 | |
| SCHEMBL9130591 | 0.79 | CYP2D6 (0.36) | TSHRCYP2D6CYP2C19CYP3A4L3MBTL1 | |
| SCHEMBL7435278 | 0.78 | ALDH1A1 (0.36) | TSHRCYP2C19CYP3A4GAASMN1; SMN2 | |
| SCHEMBL7445854 | 0.78 | SCN1A (0.36) | TSHRCYP2D6CYP2C19CYP3A4L3MBTL1 | |
| SCHEMBL9534319 | 0.77 | TSHR (0.42) | TSHRCYP2D6CYP2C19CYP3A4L3MBTL1 | |
| SCHEMBL9130891 | 0.75 | TRPA1 (0.36) | TSHRPTPN1TRPA1 | |
| SCHEMBL7444375 | 0.73 | TRPA1 (0.39) | TSHRCYP3A4TRPA1CYP1A2 | |
| SCHEMBL7446846 | 0.73 | TSHR (0.39) | TSHRCYP2D6CYP2C19CYP3A4GAA | |
| SCHEMBL9540262 | 0.72 | KDM4E (0.44) | TSHRCYP2D6CYP3A4L3MBTL1PTPN1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5491149-A | VIRICIDES | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-02-13 | — | — | US | disclosed |