Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL8148931 | 1.00 | CYP3A4 (0.46) | CYP3A4ALDH1A1LMNARAPGEF4POLB | |
| SCHEMBL8148963 | 0.82 | CYP3A4 (0.41) | CYP3A4LMNARAPGEF4POLBGAA | |
| Hydrochloric Acid SCHEMBL11711803 | 0.80 | CYP3A4 (0.40) | CYP3A4LMNARAPGEF4POLBGAA | |
| SCHEMBL8150150 | 0.78 | CYP2A6 (0.42) | CYP3A4ALDH1A1POLBCYP2A6 | |
| SCHEMBL8154003 | 0.78 | CYP2A6 (0.42) | CYP3A4ALDH1A1POLBCYP2A6 | |
| SCHEMBL8497290 | 0.77 | CYP3A4 (0.46) | CYP3A4ALDH1A1LMNARAPGEF4POLB | |
| SCHEMBL31351880 | 0.77 | CYP3A4 (0.46) | CYP3A4ALDH1A1LMNARAPGEF4POLB | |
| SCHEMBL29950528 | 0.76 | TP53 (0.48) | CYP3A4ALDH1A1LMNAPOLBCYP2A6 | |
| SCHEMBL29807846 | 0.76 | TDP1 (0.42) | CYP3A4ALDH1A1LMNARAPGEF4GAA | |
| SCHEMBL8974919 | 0.76 | TDP1 (0.42) | CYP3A4ALDH1A1LMNARAPGEF4GAA |
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 |