Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 2/20 | 0.54 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.54 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.47 |
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | CHRM5 | P08912 | 5/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 5/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 5/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 4/20 | 0.41 |
| ▸ | CHRM4 | P08173 | 4/20 | 0.41 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.41 |
| ▸ | HTR3A | P46098 | 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 | |
|---|---|---|---|---|
| SCHEMBL28901276 | 1.00 | CHRNB2 (0.54) | CHRNB2CHRNA4TAAR1NR1H4CYP1A2 | |
| SCHEMBL12649101 | 1.00 | CHRNB2 (0.54) | CHRNB2CHRNA4TAAR1NR1H4CYP1A2 | |
| Trifluoroacetic Acid SCHEMBL13518637 | 0.87 | CHRNB2 (0.46) | CHRNB2CHRNA4TAAR1CYP1A2CYP2C9 | |
| SCHEMBL5675201 | 0.80 | MPO (0.44) | CHRNB2CHRNA4LMNACHRM5CHRM3 | |
| SCHEMBL28685463 | 0.80 | CYP1A2 (0.49) | CHRNB2CHRNA4CYP1A2CYP2C19LMNA | |
| SCHEMBL28686943 | 0.80 | MPO (0.60) | CHRNB2CHRNA4NR1H4CYP1A2CHRM5 | |
| SCHEMBL4535841 | 0.78 | CHRNB2 (0.57) | CHRNB2CHRNA4NR1H4CYP1A2CYP2C9 | |
| SCHEMBL29813789 | 0.78 | CHRNB2 (0.57) | CHRNB2CHRNA4NR1H4CYP1A2CYP2C9 | |
| SCHEMBL23411036 | 0.76 | LMNA (0.49) | LMNA | |
| SCHEMBL1001293 | 0.76 | MPO (0.56) | LMNACHRM1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-114349781-A | Chiral pyrrolidine skeleton-containing aminophenoxy zinc complex and preparation method and application thereof | 华东理工大学 | 2022-04-15 | — | — | CN | disclosed |