Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.41 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.39 |
| ▸ | CDK9 | P50750 | 1/20 | 0.39 |
| ▸ | HASPIN | Q8TF76 | 1/20 | 0.39 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | ERN1 | O75460 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | HTR1D | P28221 | 2/20 | 0.31 |
| ▸ | HTR1B | P28222 | 1/20 | 0.31 |
| ▸ | PLG | P00747 | 1/20 | 0.30 |
| ▸ | PLAU | P00749 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL25269046 | 0.79 | CYP2A6 (0.57) | CYP2A6CCNT1CDK9HASPINIMPDH2 | |
| SCHEMBL25219803 | 0.75 | ALDH1A1 (0.42) | CYP2A6CCNT1CDK9HASPINIMPDH2 | |
| SCHEMBL17958314 | 0.73 | ERN1 (0.44) | CYP2A6CCNT1CDK9HASPINIMPDH2 | |
| SCHEMBL1092485 | 0.73 | CYP2A6 (0.64) | CYP2A6IMPDH2ERN1 | |
| SCHEMBL23147810 | 0.72 | CCNT1 (0.38) | CCNT1CDK9HASPIN | |
| SCHEMBL21988151 | 0.72 | HTR6 (0.33) | — | |
| SCHEMBL23148064 | 0.72 | HTR6 (0.33) | — | |
| SCHEMBL27082892 | 0.69 | CYP2A6 (0.42) | CYP2A6CCNT1CDK9HASPINIMPDH2 | |
| SCHEMBL27082891 | 0.69 | GPR84 (0.53) | CYP2A6IMPDH2ALDH1A1ERN1CYP1A2 | |
| SCHEMBL13909691 | 0.68 | CYP2A6 (0.38) | CYP2A6KMT2AHTR1DHTR1B |
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 |