Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 8/20 | 0.44 |
| ▸ | CHRNA4 | P43681 | 8/20 | 0.44 |
| ▸ | CHRNA7 | P36544 | 5/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | THPO | P40225 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL2524847 | 0.71 | CHRNB2 (0.52) | CHRNB2CHRNA4CHRNA7KDM4EALDH1A1 | |
| SCHEMBL7043989 | 0.71 | CHRNB2 (0.34) | CHRNB2CHRNA4CHRNA7KDM4EALDH1A1 | |
| SCHEMBL30461070 | 0.69 | CHRNB2 (0.39) | CHRNB2CHRNA4CHRNA7KDM4EALDH1A1 | |
| SCHEMBL10640614 | 0.68 | CHRNB2 (0.48) | CHRNB2CHRNA4CHRNA7KDM4ECYP2A6 | |
| SCHEMBL29804975 | 0.67 | CHRNB2 (0.56) | CHRNB2CHRNA4CHRNA7ALDH1A1CYP2A6 | |
| SCHEMBL28090006 | 0.67 | CHRNB2 (0.43) | CHRNB2CHRNA4CHRNA7ALDH1A1CYP2A6 | |
| SCHEMBL156842 | 0.67 | CHRNB2 (0.56) | CHRNB2CHRNA4CHRNA7KDM4EALDH1A1 | |
| SCHEMBL10375118 | 0.67 | CHRNB2 (0.56) | CHRNB2CHRNA4CHRNA7KDM4EALDH1A1 | |
| SCHEMBL11533786 | 0.67 | TDP1 (0.50) | CHRNB2CHRNA4CHRNA7KDM4EALDH1A1 | |
| SCHEMBL31699350 | 0.67 | CHRNB2 (0.56) | CHRNB2CHRNA4CHRNA7KDM4ECYP2A6 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112898233-B | Method for preparing amide compound by photocatalytic nitrogen-containing heterocyclic compound | 中南大学 | 2022-09-16 | — | — | CN | disclosed |
| CN-112898233-A | Method for preparing amide compound by photocatalytic nitrogen-containing heterocyclic compound | 中南大学 | 2021-06-04 | — | — | CN | disclosed |