Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 1/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 5/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.33 |
| ▸ | PDE2A | O00408 | 1/20 | 0.33 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.33 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.33 |
| ▸ | PNMT | P11086 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.32 |
| ▸ | CCR2 | P41597 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 3/20 | 0.32 |
| ▸ | HTR2C | P28335 | 3/20 | 0.32 |
| ▸ | HTR2B | P41595 | 3/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL16499502 | 1.00 | CYP11B1 (0.35) | CYP11B1CYP11B2TRPA1SLC6A4SLC6A3 | |
| SCHEMBL16499567 | 0.82 | TRPA1 (0.39) | TRPA1TMEM97SIGMAR1CYP19A1 | |
| SCHEMBL16499383 | 0.82 | TRPA1 (0.39) | TRPA1TMEM97SIGMAR1CYP19A1 | |
| SCHEMBL16499376 | 0.81 | SLC6A4 (0.37) | TRPA1SLC6A4SLC6A3TMEM97SIGMAR1 | |
| SCHEMBL12821627 | 0.81 | SLC6A4 (0.37) | TRPA1SLC6A4SLC6A3TMEM97SIGMAR1 | |
| SCHEMBL16499264 | 0.81 | TRPA1 (0.35) | TRPA1CYP19A1 | |
| SCHEMBL12825623 | 0.81 | TRPA1 (0.35) | TRPA1CYP19A1 | |
| SCHEMBL12813322 | 0.80 | CYP19A1 (0.36) | TRPA1SLC6A4SLC6A3CYP19A1 | |
| SCHEMBL12813600 | 0.80 | CYP19A1 (0.36) | TRPA1SLC6A4SLC6A3CYP19A1 | |
| SCHEMBL12813268 | 0.77 | CYP3A4 (0.44) | SLC6A3SLC6A2SIGMAR1HTR2CHTR2B |
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-2012134971-A2 | OPSIN-BINDING LIGANDS, COMPOSITIONS AND METHODS OF USE | BIKAM PHARMACEUTICALS, INC. (US) | 2012-10-04 | — | — | WO | disclosed |