Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.47 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.41 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.41 |
| ▸ | HTR1D | P28221 | 4/20 | 0.38 |
| ▸ | HTR1B | P28222 | 3/20 | 0.38 |
| ▸ | ERN1 | O75460 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | DPP4 | P27487 | 1/20 | 0.36 |
| ▸ | PLG | P00747 | 1/20 | 0.36 |
| ▸ | PLAU | P00749 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL22126572 | 0.82 | CYP2A6 (0.50) | CYP2A6P2RX7IMPDH2HTR1DHTR1B | |
| SCHEMBL29955620 | 0.82 | CYP2A6 (0.50) | CYP2A6P2RX7IMPDH2HTR1DHTR1B | |
| SCHEMBL29953119 | 0.79 | CYP2A6 (0.47) | CYP2A6P2RX7IMPDH2HTR1DHTR1B | |
| SCHEMBL29957003 | 0.79 | ERN1 (0.50) | CYP2A6P2RX7IMPDH2HTR1DHTR1B | |
| SCHEMBL26653873 | 0.79 | CYP2A6 (0.56) | CYP2A6P2RX7IMPDH2HTR1DHTR1B | |
| SCHEMBL29956880 | 0.79 | CYP2A6 (0.60) | CYP2A6P2RX7IMPDH2HTR1DHTR1B | |
| SCHEMBL16727129 | 0.79 | CYP2A6 (0.47) | CYP2A6P2RX7IMPDH2HTR1DHTR1B | |
| SCHEMBL6856016 | 0.79 | CYP2A6 (0.47) | CYP2A6P2RX7IMPDH2HTR1DHTR1B | |
| SCHEMBL29953925 | 0.79 | CYP2A6 (0.47) | CYP2A6P2RX7IMPDH2HTR1DHTR1B | |
| SCHEMBL29951455 | 0.76 | ALDH1A1 (0.48) | CYP2A6P2RX7IMPDH2HTR1DHTR1B |
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 |
|---|---|---|---|---|---|---|---|
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |