Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 1/20 | 0.50 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | XBP1 | P17861 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 3/20 | 0.33 |
| ▸ | HTR6 | P50406 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL12182299 | 0.72 | CHRNB2 (0.60) | CHRNB2CHRNA4ALDH1A1XBP1HTT | |
| SCHEMBL12182270 | 0.72 | CHRNB2 (0.60) | CHRNB2CHRNA4ALDH1A1XBP1HTT | |
| SCHEMBL23050208 | 0.68 | CHRNB2 (0.51) | CHRNB2CHRNA4ALDH1A1XBP1HTT | |
| SCHEMBL12549383 | 0.67 | CHRNB2 (0.54) | CHRNB2CHRNA4ALDH1A1XBP1HTT | |
| SCHEMBL30643092 | 0.67 | CHRNB2 (0.50) | CHRNB2CHRNA4ALDH1A1XBP1HTT | |
| SCHEMBL7255505 | 0.67 | CHRNB2 (1.00) | CHRNB2CHRNA4ALDH1A1XBP1HTT | |
| SCHEMBL10605800 | 0.67 | CHRNB2 (0.54) | CHRNB2CHRNA4ALDH1A1XBP1HTT | |
| SCHEMBL4424989 | 0.67 | HTR6 (0.47) | HTR6 | |
| SCHEMBL10607832 | 0.65 | ACHE (0.53) | CHRNB2CHRNA4ACHE | |
| SCHEMBL20232080 | 0.65 | CHRNA7 (0.48) | CHRNB2CHRNA4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3040331-B1 | TETRAHYDROCYCLOPENTAPYRROLE DERIVATIVE AND PREPARATION METHOD THEREFOR | DAE WOONG PHARMA (KR) | 2018-11-14 | — | — | EP | disclosed |