Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.31 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.31 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.30 |
| ▸ | ADORA1 | P30542 | 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 | |
|---|---|---|---|---|
| SCHEMBL22354350 | 0.85 | NPSR1 (0.35) | NPSR1CHRM1HSD11B1LMNACYP4F2 | |
| SCHEMBL2445606 | 0.83 | NPSR1 (0.46) | NPSR1CHRM1HSD11B1LMNACYP4F2 | |
| SCHEMBL2852638 | 0.81 | NPSR1 (0.35) | NPSR1CHRM1HSD11B1LMNACYP4F2 | |
| SCHEMBL15114116 | 0.78 | NPSR1 (0.36) | NPSR1CHRM1HSD11B1LMNACYP4F2 | |
| SCHEMBL2451039 | 0.77 | NPSR1 (0.46) | NPSR1CHRM1HSD11B1LMNACYP4F2 | |
| SCHEMBL13164148 | 0.76 | CHRM1 (0.33) | NPSR1CHRM1HSD11B1ADORA2AADORA1 | |
| SCHEMBL19271800 | 0.75 | NPSR1 (0.40) | NPSR1CHRM1HSD11B1LMNACYP4F2 | |
| SCHEMBL705019 | 0.75 | NPSR1 (0.40) | NPSR1CHRM1HSD11B1LMNACYP4F2 | |
| SCHEMBL16099826 | 0.75 | NPSR1 (0.40) | NPSR1CHRM1HSD11B1LMNACYP4F2 | |
| SCHEMBL12308358 | 0.75 | GRM1 (0.37) | — |
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-2021158781-A1 | METHODS FOR PRACTICAL SYNTHESIS OF DEUTERATED AMINO ACIDS | ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) | 2021-08-12 | — | — | WO | disclosed |