Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.38 |
| ▸ | ERN1 | O75460 | 3/20 | 0.34 |
| ▸ | PRKDC | P78527 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL29050233 | 0.79 | CYP2A6 (0.35) | CYP2A6ERN1ALDH1A1TSHR | |
| SCHEMBL3990051 | 0.72 | — | — | |
| SCHEMBL6169523 | 0.68 | — | — | |
| SCHEMBL14270899 | 0.68 | — | — | |
| SCHEMBL2237276 | 0.62 | PRKDC (0.58) | CYP2A6ERN1PRKDCLMNAALDH1A1 | |
| SCHEMBL31035318 | 0.61 | KDM4E (0.48) | ERN1PRKDCLMNATSHR | |
| SCHEMBL1162124 | 0.60 | PRKDC (0.56) | CYP2A6ERN1PRKDCLMNAALDH1A1 | |
| SCHEMBL19561431 | 0.60 | PRKDC (0.46) | CYP2A6ERN1PRKDCLMNAALDH1A1 | |
| SCHEMBL9960823 | 0.60 | ALDH1A1 (0.47) | LMNAALDH1A1TSHR | |
| SCHEMBL9221 | 0.60 | ALDH1A1 (0.47) | LMNAALDH1A1TSHR |
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 |