Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRL1 | P41146 | 4/20 | 0.49 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.44 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.41 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.41 |
| ▸ | HTR2C | P28335 | 2/20 | 0.36 |
| ▸ | TDO2 | P48775 | 1/20 | 0.36 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL21757521 | 0.98 | OPRL1 (0.48) | OPRL1CYP11B2CHRNB2CHRNA4TDO2 | |
| SCHEMBL21757505 | 0.98 | OPRL1 (0.48) | OPRL1CYP11B2CHRNB2CHRNA4TDO2 | |
| SCHEMBL10079573 | 0.92 | OPRL1 (0.55) | OPRL1CYP11B2CHRNB2CHRNA4HTR2C | |
| Hydrochloric Acid SCHEMBL28413629 | 0.82 | OPRL1 (0.48) | OPRL1CYP11B2CHRNB2CHRNA4HTR2C | |
| SCHEMBL30127914 | 0.77 | OPRL1 (0.80) | OPRL1 | |
| SCHEMBL29889741 | 0.77 | HTR2C (0.46) | OPRL1HTR2C | |
| SCHEMBL23974564 | 0.77 | OPRL1 (0.60) | OPRL1CHRNB2CHRNA4 | |
| SCHEMBL27295140 | 0.76 | CYP11B2 (0.44) | OPRL1CYP11B2CHRNB2CHRNA4TDO2 | |
| SCHEMBL22200064 | 0.76 | CYP11B2 (0.41) | OPRL1CYP11B2CHRNB2CHRNA4TDO2 | |
| SCHEMBL16132536 | 0.75 | OPRL1 (0.57) | OPRL1HTR2C |
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-2020041159-A1 | NON-PEPTIDE OPIOID RECEPTOR MODULATORS | VIRGINIA COMMONWEALTH UNIVERSITY (US) | 2020-02-27 | — | — | WO | disclosed |