Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 5/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.43 |
| ▸ | TDP2 | O95551 | 1/20 | 0.43 |
| ▸ | NSD2 | O96028 | 1/20 | 0.43 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.43 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | NOS3 | P29474 | 2/20 | 0.36 |
| ▸ | NOS2 | P35228 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL29352563 | 0.95 | TSHR (0.45) | TSHRCYP1A2CYP2A6TDP2NSD2 | |
| SCHEMBL5494672 | 0.95 | TSHR (0.45) | TSHRCYP1A2CYP2A6TDP2NSD2 | |
| SCHEMBL37955 | 0.95 | TSHR (0.45) | TSHRCYP1A2CYP2A6TDP2NSD2 | |
| Fluoride SCHEMBL29115076 | 0.91 | TSHR (0.43) | TSHRCYP1A2CYP2A6TDP2NSD2 | |
| Hydrochloric Acid SCHEMBL29115086 | 0.91 | CYP1A2 (0.43) | TSHRCYP1A2CYP2A6TDP2NSD2 | |
| SCHEMBL10346182 | 0.91 | TSHR (0.43) | TSHRCYP1A2CYP2A6TDP2NSD2 | |
| SCHEMBL5181689 | 0.91 | TSHR (0.43) | TSHRCYP1A2CYP2A6TDP2NSD2 | |
| Iodide SCHEMBL29115031 | 0.91 | TSHR (0.43) | TSHRCYP1A2CYP2A6TDP2NSD2 | |
| Bromide SCHEMBL29115028 | 0.91 | TSHR (0.43) | TSHRCYP1A2CYP2A6TDP2NSD2 | |
| SCHEMBL27731752 | 0.91 | TSHR (0.43) | TSHRCYP1A2CYP2A6TDP2NSD2 |
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-105086317-A | METHACRYLATE COMPOUND AND ACTIVE ENERGY RAY CURABLE RESIN COMPOSITION CONTAINING SAME AND CURED PRODUCT THEREOF | NIPPON KAYAKU KK | 2015-11-25 | — | — | CN | disclosed |