Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.58 |
| ▸ | MAPT | P10636 | 1/20 | 0.58 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.56 |
| ▸ | PLG | P00747 | 1/20 | 0.55 |
| ▸ | PLAU | P00749 | 1/20 | 0.55 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.53 |
| ▸ | TDO2 | P48775 | 1/20 | 0.51 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 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 |
| ▸ | ERN1 | O75460 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | IDO1 | P14902 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL639590 | 1.00 | CYP2A6 (0.64) | CYP2A6ALDH1A1KDM4EMAPTIMPDH2 | |
| SCHEMBL351715 | 0.85 | ALDH1A1 (0.58) | CYP2A6ALDH1A1KDM4EMAPTIMPDH2 | |
| SCHEMBL18795330 | 0.81 | GPR84 (0.53) | CYP2A6ALDH1A1KDM4EMAPTGPR84 | |
| SCHEMBL9377060 | 0.79 | CYP2A6 (0.66) | CYP2A6ALDH1A1KDM4EMAPTIMPDH2 | |
| SCHEMBL29956305 | 0.79 | CYP2A6 (0.66) | CYP2A6ALDH1A1KDM4EMAPTIMPDH2 | |
| SCHEMBL31448056 | 0.78 | TDO2 (0.68) | ALDH1A1MAPTGPR84TDO2NR4A2 | |
| SCHEMBL19178971 | 0.78 | TDO2 (0.68) | ALDH1A1MAPTGPR84TDO2NR4A2 | |
| SCHEMBL1049957 | 0.78 | PIM3 (0.65) | CYP2A6ALDH1A1KDM4EMAPTIMPDH2 | |
| SCHEMBL16067285 | 0.78 | CYP2A6 (0.64) | CYP2A6ALDH1A1KDM4EMAPTIMPDH2 | |
| SCHEMBL187434 | 0.78 | TDO2 (0.64) | CYP2A6ALDH1A1KDM4EMAPTIMPDH2 |
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 |