Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 12/20 | 0.65 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.50 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.50 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.48 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.48 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.48 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.48 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.48 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.48 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL17793494 | 1.00 | SLC6A4 (0.65) | SLC6A4OPRM1OPRK1SIGMAR1CHRNB2 | |
| SCHEMBL17793496 | 0.87 | SLC6A4 (0.50) | SLC6A4OPRM1OPRK1SIGMAR1CHRNB2 | |
| SCHEMBL17793495 | 0.86 | SLC6A4 (0.63) | SLC6A4OPRM1OPRK1SIGMAR1CHRNB2 | |
| SCHEMBL19630773 | 0.84 | SLC6A4 (0.65) | SLC6A4OPRM1OPRK1SIGMAR1CHRNB2 | |
| SCHEMBL26728652 | 0.79 | SLC6A4 (1.00) | SLC6A4OPRM1OPRK1SIGMAR1CHRNB2 | |
| SCHEMBL26728906 | 0.79 | SLC6A4 (1.00) | SLC6A4OPRM1OPRK1SIGMAR1CHRNB2 | |
| SCHEMBL26322891 | 0.78 | SLC6A4 (0.54) | SLC6A4OPRM1OPRK1SIGMAR1CHRNB2 | |
| Ibogamine SCHEMBL18712852 | 0.76 | SLC6A4 (1.00) | SLC6A4OPRM1OPRK1SIGMAR1CHRNB2 | |
| SCHEMBL17793491 | 0.76 | SLC6A4 (0.61) | SLC6A4OPRM1OPRK1SIGMAR1CHRNB2 | |
| Ibogamine SCHEMBL31187082 | 0.76 | SLC6A4 (1.00) | SLC6A4OPRM1OPRK1SIGMAR1CHRNB2 |
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-2016086158-A1 | OPIOID RECEPTOR MODULATORS | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2016-06-02 | — | — | WO | disclosed |