Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL2704990 | 0.89 | CYP1A2 (0.33) | CYP1A2CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL2774237 | 0.88 | CYP2C9 (0.45) | CYP1A2CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL6396629 | 0.84 | CYP2C9 (0.50) | CYP1A2CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL13951874 | 0.81 | CYP1A2 (0.48) | CYP1A2CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL809525 | 0.76 | CYP1A2 (0.41) | CYP1A2CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL2718090 | 0.75 | GAA (0.40) | CYP1A2CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL4285008 | 0.75 | CA2 (0.47) | CYP1A2CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL7850423 | 0.75 | NPC1 (0.33) | — | |
| SCHEMBL6400542 | 0.74 | CYP2C9 (0.64) | CYP1A2CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL11793577 | 0.72 | CA2 (0.54) | CYP1A2CYP3A4CYP2C9TSHRCYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2831160-B1 | STABLE COMPOSITIONS OF THIABENDAZOLE AND IODINE-CONTAINING FUNGICIDES | LANXESS DEUTSCHLAND GMBH (DE) | 2016-03-23 | — | — | EP | disclosed |
| EP-2270087-A1 | Heterocyclic 3-ring connections and polymers containing iodine compounds | LANXESS Deutschland GmbH (DE) | 2011-01-05 | — | — | EP | disclosed |