Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.38 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.36 |
| ▸ | CDK9 | P50750 | 1/20 | 0.36 |
| ▸ | HASPIN | Q8TF76 | 1/20 | 0.36 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.35 |
| ▸ | ERN1 | O75460 | 1/20 | 0.33 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | F7 | P08709 | 1/20 | 0.32 |
| ▸ | F3 | P13726 | 1/20 | 0.32 |
| ▸ | HTR1D | P28221 | 2/20 | 0.32 |
| ▸ | HTR1B | P28222 | 1/20 | 0.32 |
| ▸ | PLG | P00747 | 1/20 | 0.31 |
| ▸ | PLAU | P00749 | 1/20 | 0.31 |
| ▸ | PRKAB2 | O43741 | 1/20 | 0.31 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.31 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.31 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.31 |
| ▸ | PRKAG3 | Q9UGI9 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL29953523 | 0.75 | CYP2A6 (0.58) | CYP2A6IMPDH2P2RX7CYP1A2HSD17B10 | |
| SCHEMBL5002752 | 0.75 | CYP2A6 (0.58) | CYP2A6IMPDH2P2RX7CYP1A2HSD17B10 | |
| SCHEMBL29953318 | 0.75 | CYP2A6 (0.41) | CYP2A6CCNT1CDK9HASPINIMPDH2 | |
| SCHEMBL29956942 | 0.75 | CYP2A6 (0.57) | CYP2A6CCNT1CDK9HASPINIMPDH2 | |
| SCHEMBL29953267 | 0.75 | CYP2A6 (0.41) | CYP2A6CCNT1CDK9HASPINIMPDH2 | |
| SCHEMBL25269046 | 0.75 | CYP2A6 (0.57) | CYP2A6CCNT1CDK9HASPINIMPDH2 | |
| SCHEMBL29956329 | 0.75 | CYP2A6 (0.41) | CYP2A6CCNT1CDK9HASPINIMPDH2 | |
| SCHEMBL29957932 | 0.71 | CYP2A6 (0.38) | CYP2A6CCNT1CDK9HASPINIMPDH2 | |
| SCHEMBL30368638 | 0.71 | ALDH1A1 (0.42) | CYP2A6CCNT1CDK9HASPINIMPDH2 | |
| SCHEMBL25219803 | 0.71 | ALDH1A1 (0.42) | CYP2A6CCNT1CDK9HASPINIMPDH2 |
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 |