Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.44 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.41 |
| ▸ | TDO2 | P48775 | 1/20 | 0.36 |
| ▸ | ERN1 | O75460 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29957097 | 0.82 | ERN1 (0.44) | CYP2A6IMPDH2TDO2ERN1ALDH1A1 | |
| SCHEMBL17958314 | 0.82 | ERN1 (0.44) | CYP2A6IMPDH2TDO2ERN1ALDH1A1 | |
| SCHEMBL7074768 | 0.82 | GPR17 (0.46) | CYP2A6IMPDH2ERN1ALDH1A1CYP1A2 | |
| SCHEMBL29957147 | 0.79 | CYP2A6 (0.44) | CYP2A6IMPDH2ERN1ALDH1A1CYP1A2 | |
| SCHEMBL29953426 | 0.79 | HTR1A (0.47) | CYP2A6IMPDH2TDO2ERN1ALDH1A1 | |
| SCHEMBL17417808 | 0.79 | CYP2A6 (0.44) | CYP2A6IMPDH2ERN1ALDH1A1CYP1A2 | |
| SCHEMBL29951496 | 0.79 | CYP2A6 (0.56) | CYP2A6IMPDH2TDO2ERN1ALDH1A1 | |
| SCHEMBL29957909 | 0.76 | CYP2A6 (0.40) | CYP2A6IMPDH2ERN1ALDH1A1CYP1A2 | |
| SCHEMBL17417767 | 0.76 | ALDH1A1 (0.55) | CYP2A6IMPDH2ERN1ALDH1A1CYP1A2 | |
| SCHEMBL29954599 | 0.76 | ALDH1A1 (0.44) | CYP2A6IMPDH2ERN1ALDH1A1CYP1A2 |
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 |