Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.58 |
| ▸ | MKNK1 | Q9BUB5 | 5/20 | 0.54 |
| ▸ | MKNK2 | Q9HBH9 | 5/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.42 |
| ▸ | KIF11 | P52732 | 1/20 | 0.42 |
| ▸ | ELOVL1 | Q9BW60 | 1/20 | 0.42 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | KDR | P35968 | 2/20 | 0.41 |
| ▸ | TEK | Q02763 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL14024057 | 1.00 | CYP2A6 (0.58) | CYP2A6MKNK1MKNK2CYP3A4ALDH1A1 | |
| SCHEMBL13878057 | 0.81 | CYP2A6 (0.67) | CYP2A6MKNK1MKNK2CYP3A4ALDH1A1 | |
| SCHEMBL14023976 | 0.78 | WNT3A (0.38) | CYP2A6 | |
| SCHEMBL3756927 | 0.77 | CYP2A6 (0.57) | CYP2A6MKNK1MKNK2CYP3A4ALDH1A1 | |
| SCHEMBL19063000 | 0.77 | CYP2D6 (0.43) | CA12CA1CA2CA9CYP19A1 | |
| SCHEMBL12413787 | 0.77 | MKNK1 (0.61) | CYP2A6MKNK1MKNK2CYP3A4ALDH1A1 | |
| SCHEMBL2433624 | 0.76 | MKNK1 (0.49) | CYP2A6MKNK1MKNK2CYP11B2CYP19A1 | |
| SCHEMBL7606896 | 0.76 | SLC7A5 (0.56) | CYP2A6MKNK1MKNK2CYP1A2 | |
| SCHEMBL21690091 | 0.76 | SLC7A5 (0.56) | CYP2A6MKNK1MKNK2CYP1A2 | |
| SCHEMBL353300 | 0.76 | SLC7A5 (0.56) | CYP2A6MKNK1MKNK2CYP1A2 |
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-1934238-B1 | TRIAZOLE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME | MELINTA THERAPEUTICS INC (US) | 2017-06-28 | — | — | EP | disclosed |
| WO-2008143729-A2 | MACROLIDE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME | RIB-X PHARMACEUTICALS, INC. (US) | 2008-11-27 | — | — | WO | disclosed |