Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RPS6KA3 | P51812 | 2/20 | 0.62 |
| ▸ | CYP2A6 | P11509 | 6/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | CYP46A1 | Q9Y6A2 | 1/20 | 0.51 |
| ▸ | CYP2E1 | P05181 | 4/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.50 |
| ▸ | CYP2B6 | P20813 | 4/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.50 |
| ▸ | CYP2C8 | P10632 | 3/20 | 0.50 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.50 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.48 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.48 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL8716812 | 0.91 | RPS6KA3 (0.65) | RPS6KA3CYP2A6CYP1A2CYP3A4ALDH1A1 | |
| SCHEMBL31017586 | 0.89 | CYP2A6 (0.64) | CYP2A6CYP1A2CYP3A4ALDH1A1PTGS2 | |
| SCHEMBL4621666 | 0.89 | CYP2A6 (0.64) | CYP2A6CYP1A2CYP3A4ALDH1A1PTGS2 | |
| SCHEMBL21692148 | 0.87 | RPS6KA3 (0.59) | RPS6KA3CYP2A6CYP1A2CYP3A4ALDH1A1 | |
| SCHEMBL21692174 | 0.87 | RPS6KA3 (0.59) | RPS6KA3CYP2A6CYP1A2CYP3A4ALDH1A1 | |
| Ethylene SCHEMBL28642132 | 0.85 | PTGS2 (0.59) | CYP2A6CYP1A2CYP3A4ALDH1A1PTGS2 | |
| SCHEMBL20541087 | 0.84 | CYP2A6 (0.70) | CYP2A6CYP1A2CYP3A4ALDH1A1PTGS2 | |
| SCHEMBL30026143 | 0.84 | CYP2A6 (0.70) | CYP2A6CYP1A2CYP3A4ALDH1A1PTGS2 | |
| SCHEMBL12854062 | 0.83 | RPS6KA3 (0.56) | RPS6KA3CYP2A6CYP1A2CYP3A4ALDH1A1 | |
| SCHEMBL12854064 | 0.83 | RPS6KA3 (0.56) | RPS6KA3CYP2A6CYP1A2CYP3A4ALDH1A1 |
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-106243018-B | A kind of synthetic method of poly-fluorine phenyl pyridine compounds and their | 陕西师范大学 | 2018-09-21 | — | — | CN | disclosed |
| CN-106243018-A | A kind of synthetic method of poly-fluorine phenyl pyridine compounds and their | 陕西师范大学 | 2016-12-21 | — | — | CN | disclosed |