Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 2/20 | 0.61 |
| ▸ | MRGPRX4 | Q96LA9 | 3/20 | 0.50 |
| ▸ | XDH | P47989 | 1/20 | 0.50 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | CA6 | P23280 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.49 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.48 |
| ▸ | GRM5 | P41594 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | KMO | O15229 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL29441888 | 0.98 | GSK3B (0.62) | GSK3BMRGPRX4XDHSLC22A12CA12 | |
| SCHEMBL60691 | 0.98 | GSK3B (0.62) | GSK3BMRGPRX4XDHSLC22A12CA12 | |
| SCHEMBL11706688 | 0.96 | GSK3B (0.61) | GSK3BMRGPRX4XDHSLC22A12CA12 | |
| SCHEMBL27804665 | 0.96 | GSK3B (0.61) | GSK3BMRGPRX4XDHSLC22A12CA12 | |
| Hydrochloric Acid SCHEMBL2031438 | 0.96 | GSK3B (0.61) | GSK3BMRGPRX4XDHSLC22A12CA12 | |
| SCHEMBL6832704 | 0.91 | GSK3B (0.56) | GSK3BMRGPRX4XDHSLC22A12 | |
| SCHEMBL5529069 | 0.87 | XDH (0.62) | GSK3BXDHSLC22A12KMO | |
| SCHEMBL4030533 | 0.85 | GSK3B (0.54) | GSK3BMRGPRX4HTTHSD17B10 | |
| SCHEMBL29724115 | 0.85 | GSK3B (0.57) | GSK3BMRGPRX4XDHSLC22A12GRM5 | |
| SCHEMBL6895867 | 0.84 | GSK3B (0.60) | GSK3BMRGPRX4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101891649-B | Novel 3-cyano methyl benzoate preparing method | JINGZHOU TENGFEI CHEMICALS CO LTD | 2013-05-08 | — | — | CN | disclosed |
| CN-101891649-A | Novel 3-cyano methyl benzoate preparing method | JINGZHOU TENGFEI CHEMICALS CO LTD | 2010-11-24 | — | — | CN | disclosed |