Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 2/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 6/20 | 0.41 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.38 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 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 | |
|---|---|---|---|---|
| SCHEMBL8718544 | 0.88 | TRPA1 (0.46) | TRPA1SIGMAR1TAAR1SLC6A2SLC6A4 | |
| SCHEMBL8430263 | 0.83 | SIGMAR1 (0.50) | TRPA1SIGMAR1TAAR1SLC6A2SLC6A4 | |
| SCHEMBL8713556 | 0.78 | TRPA1 (0.41) | TRPA1SIGMAR1TAAR1SLC6A2SLC6A4 | |
| SCHEMBL8715544 | 0.77 | TRPA1 (0.41) | TRPA1SIGMAR1TAAR1SLC6A2SLC6A4 | |
| SCHEMBL8089461 | 0.77 | KDM4E (0.46) | TRPA1TAAR1KDM4EL3MBTL1CYP3A4 | |
| SCHEMBL5754344 | 0.77 | TAAR1 (0.47) | TRPA1TAAR1KDM4EL3MBTL1CYP3A4 | |
| SCHEMBL30885596 | 0.75 | KDM4E (0.49) | TRPA1TAAR1SLC6A2SLC6A4KDM4E | |
| SCHEMBL8714028 | 0.75 | TRPA1 (0.38) | TRPA1SIGMAR1KDM4EL3MBTL1TSHR | |
| SCHEMBL2772902 | 0.74 | KDM4E (0.44) | TRPA1SIGMAR1TAAR1SLC6A2SLC6A4 | |
| SCHEMBL8714206 | 0.74 | SIGMAR1 (0.44) | TRPA1SIGMAR1NPY5RSLC6A2SLC6A4 |
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 |
|---|---|---|---|---|---|---|---|
| US-5811293-A | CULTURE PRODUCT AS CHEMICAL INTERMEDIATE FOR ANTI-OBESITY AGENT | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 1998-09-22 | — | — | US | disclosed |