Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.45 |
| ▸ | LMNA | P02545 | 3/20 | 0.45 |
| ▸ | CCR1 | P32246 | 2/20 | 0.45 |
| ▸ | CCR5 | P51681 | 2/20 | 0.45 |
| ▸ | CCR8 | P51685 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | METAP1 | P53582 | 1/20 | 0.45 |
| ▸ | BLM | P54132 | 1/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.45 |
| ▸ | DOHH | Q9BU89 | 1/20 | 0.45 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 3/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL21565085 | 0.93 | LIPG (0.49) | CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL28448529 | 0.93 | LIPG (0.49) | CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL28448453 | 0.85 | CCR1 (0.50) | CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL28451044 | 0.85 | CYP1A2 (0.46) | CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL21565079 | 0.84 | LIPG (0.44) | CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL4725082 | 0.84 | CYP1A2 (0.49) | CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL28448582 | 0.83 | CYP1A2 (0.45) | CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL29542978 | 0.83 | CYP1A2 (0.47) | CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL29542562 | 0.83 | CYP1A2 (0.47) | CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL14722433 | 0.83 | CYP1A2 (0.47) | CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19 |
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-109020877-B | Alkyl modified aryl pyridine compound and preparation method thereof | 同济大学 | 2020-08-18 | — | — | CN | disclosed |