Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.64 |
| ▸ | PLG | P00747 | 1/20 | 0.59 |
| ▸ | PLAU | P00749 | 1/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.58 |
| ▸ | MAPT | P10636 | 1/20 | 0.58 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.56 |
| ▸ | HTR2C | P28335 | 3/20 | 0.47 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.46 |
| ▸ | CDK9 | P50750 | 1/20 | 0.46 |
| ▸ | HASPIN | Q8TF76 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.44 |
| ▸ | HTR2B | P41595 | 1/20 | 0.44 |
| ▸ | TDO2 | P48775 | 1/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL15324073 | 1.00 | CYP2A6 (0.64) | CYP2A6PLGPLAUALDH1A1KDM4E | |
| SCHEMBL337458 | 0.85 | ALDH1A1 (0.58) | CYP2A6PLGPLAUALDH1A1KDM4E | |
| SCHEMBL15951400 | 0.80 | HTR1A (0.59) | CYP2A6PLGPLAUHTR2CCCNT1 | |
| SCHEMBL29956305 | 0.79 | CYP2A6 (0.66) | CYP2A6PLGPLAUALDH1A1KDM4E | |
| SCHEMBL9377060 | 0.79 | CYP2A6 (0.66) | CYP2A6PLGPLAUALDH1A1KDM4E | |
| SCHEMBL9731165 | 0.79 | EGFR (0.56) | CYP2A6PLGPLAUALDH1A1KDM4E | |
| SCHEMBL1049957 | 0.78 | PIM3 (0.65) | CYP2A6PLGPLAUALDH1A1KDM4E | |
| SCHEMBL16067285 | 0.78 | CYP2A6 (0.64) | CYP2A6PLGPLAUALDH1A1KDM4E | |
| SCHEMBL29951219 | 0.78 | CYP2A6 (1.00) | CYP2A6PLGPLAUALDH1A1KDM4E | |
| SCHEMBL187434 | 0.78 | TDO2 (0.64) | CYP2A6PLGPLAUALDH1A1KDM4E |
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-121378310-A | Method for constructing near-infrared one-region boron-dipyrromethene dye conjugate through Knoevenagel condensation reaction | 南京理工大学 | 2026-01-23 | — | — | CN | disclosed |
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |