Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL6446157 | 0.85 | CYP1A2 (0.61) | CYP1A2CYP3A4CYP2C19KDM4EHTT | |
| SCHEMBL3262736 | 0.84 | CYP1A2 (0.45) | CYP1A2CYP3A4CYP2C19KDM4EMEN1 | |
| SCHEMBL3234804 | 0.81 | CYP1A2 (0.43) | CYP1A2CYP3A4CYP2C19SMN1; SMN2HSD17B10 | |
| Hydrochloric Acid SCHEMBL3622627 | 0.80 | SMN1; SMN2 (0.43) | CYP1A2CYP3A4CYP2C19SMN1; SMN2HSD17B10 | |
| SCHEMBL3381299 | 0.78 | CYP1A2 (0.57) | CYP1A2CYP3A4CYP2C19KDM4EPOLB | |
| SCHEMBL9964974 | 0.71 | CYP1A2 (0.46) | CYP1A2CYP3A4CYP2C19KDM4EHTT | |
| SCHEMBL28141493 | 0.68 | NOS3 (0.39) | CYP1A2CYP2C19KDM4EPOLB | |
| SCHEMBL9937009 | 0.67 | CYP1A2 (0.42) | CYP1A2CYP3A4CYP2C19KDM4EHTT | |
| SCHEMBL1920877 | 0.67 | HTT (0.50) | CYP1A2CYP3A4KDM4EHTTPOLB | |
| SCHEMBL26339879 | 0.66 | NOS3 (0.38) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102464654-B | Antiviral compound | PHARMARESOURCES (SHANGHAI) CO., LTD. (CN) | 2016-01-13 | — | — | CN | disclosed |
| WO-2012065062-A1 | NOVEL ANTIVIRAL COMPOUNDS | PHARMARESOURCES(SHANGHAI)CO., LTD. (CN) | 2012-05-18 | — | — | WO | disclosed |
| WO-2012065062-A1 | NOVEL ANTIVIRAL COMPOUNDS | PHARMARESOURCES(SHANGHAI)CO., LTD. (CN) | 2012-05-18 | — | — | WO | disclosed |