Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 2/20 | 1.00 |
| ▸ | CHRNA4 | P43681 | 2/20 | 1.00 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.44 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.43 |
| ▸ | FDPS | P14324 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | XBP1 | P17861 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.34 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7260370 | 0.84 | CHRNB2 (0.73) | CHRNB2CHRNA4SIGMAR1CHRNA7FDPS | |
| SCHEMBL7260445 | 0.82 | CHRNB2 (0.69) | CHRNB2CHRNA4SIGMAR1CHRNA7FDPS | |
| SCHEMBL19658415 | 0.82 | CHRNB2 (0.69) | CHRNB2CHRNA4SIGMAR1CHRNA7FDPS | |
| SCHEMBL19658419 | 0.82 | CHRNB2 (0.69) | CHRNB2CHRNA4SIGMAR1CHRNA7FDPS | |
| SCHEMBL19652244 | 0.79 | CHRNB2 (0.64) | CHRNB2CHRNA4CHRNA7FDPSALDH1A1 | |
| SCHEMBL19652246 | 0.79 | CHRNB2 (0.64) | CHRNB2CHRNA4CHRNA7FDPSALDH1A1 | |
| SCHEMBL19652249 | 0.79 | CHRNB2 (0.64) | CHRNB2CHRNA4CHRNA7FDPSALDH1A1 | |
| SCHEMBL19659046 | 0.79 | CHRNB2 (0.64) | CHRNB2CHRNA4SIGMAR1FDPSALDH1A1 | |
| SCHEMBL17753934 | 0.79 | CHRNB2 (0.64) | CHRNB2CHRNA4SIGMAR1FDPSALDH1A1 | |
| SCHEMBL12891530 | 0.77 | CHRNB2 (0.63) | CHRNB2CHRNA4SIGMAR1CHRNA7FDPS |
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 |
|---|---|---|---|---|---|---|---|
| WO-2003014089-A1 | AMINOTETRAHYDROISOQUINOLINE DERIVATIVES AS ANALGESICS | VIRGINIA COMMONWEALTH UNIVERSITY (US) | 2003-02-20 | — | — | WO | disclosed |