Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR3A | P46098 | 2/20 | 0.52 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.52 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.52 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.52 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.52 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.52 |
| ▸ | HTR2B | P41595 | 1/20 | 0.52 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.52 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.52 |
| ▸ | HTR3B | O95264 | 1/20 | 0.52 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.52 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.52 |
| ▸ | ADRA1A | P35348 | 5/20 | 0.42 |
| ▸ | MTNR1A | P48039 | 4/20 | 0.41 |
| ▸ | MTNR1B | P49286 | 4/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Fumaric Acid SCHEMBL9050450 | 0.95 | HTR3A (0.48) | HTR3AADRA2AADRA2BADRA2CSLC6A4 | |
| SCHEMBL9048273 | 0.92 | HTR3A (0.43) | HTR3AADRA2AADRA2BADRA2CSLC6A4 | |
| Fumaric Acid SCHEMBL9050432 | 0.88 | HTR3A (0.40) | HTR3AADRA2AADRA2BADRA2CSLC6A4 | |
| SCHEMBL16585577 | 0.83 | HTR3A (0.58) | HTR3AADRA2AADRA2BADRA2CSLC6A4 | |
| Fumaric Acid SCHEMBL9050462 | 0.80 | HTR3A (0.52) | HTR3AADRA2AADRA2BADRA2CSLC6A4 | |
| SCHEMBL9050458 | 0.76 | HTR3A (0.64) | HTR3AADRA2AADRA2BADRA2CSLC6A4 | |
| SCHEMBL6850907 | 0.75 | HTR3A (0.60) | HTR3AADRA2AADRA2BADRA2CSLC6A4 | |
| SCHEMBL9049337 | 0.75 | HTR3A (0.48) | HTR3AADRA2AADRA2BADRA2CSLC6A4 | |
| SCHEMBL6271791 | 0.75 | HTR3A (0.48) | HTR3AADRA2AADRA2BADRA2CSLC6A4 | |
| SCHEMBL7008261 | 0.75 | ADRA1A (0.52) | HTR3AADRA2AADRA2BADRA2CSLC6A4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0381422-B1 | Tetrahydrobenzimidazole derivatives | YAMANOUCHI PHARMA CO LTD (JP) | 1996-10-23 | — | — | EP | claimed |
| US-5344927-A | 5-HT3 antagonist | YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) | 1994-09-06 | — | — | US | claimed |