Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR3A | P46098 | 4/20 | 0.55 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.55 |
| ▸ | HTR2A | P28223 | 1/20 | 0.55 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.55 |
| ▸ | HRH1 | P35367 | 1/20 | 0.55 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7289347 | 0.95 | HTR3A (0.56) | HTR3AKCNH2CYP1A2HTR2ASLC6A4 | |
| SCHEMBL7279243 | 0.92 | HTR3A (0.56) | HTR3AKCNH2CYP1A2HTR2ASLC6A4 | |
| SCHEMBL7287964 | 0.92 | HTR3A (0.53) | HTR3AKCNH2CYP1A2HTR2ASLC6A4 | |
| Hydrochloric Acid SCHEMBL7281513 | 0.92 | HTR3A (0.55) | HTR3AKCNH2CYP1A2HTR2ASLC6A4 | |
| Hydrochloric Acid SCHEMBL7279151 | 0.91 | HTR3A (0.53) | HTR3AKCNH2CYP1A2HTR2ASLC6A4 | |
| Hydrochloric Acid SCHEMBL7288560 | 0.87 | HTR3A (0.59) | HTR3AKCNH2CYP1A2HTR2ASLC6A4 | |
| Fumaric Acid SCHEMBL10427996 | 0.87 | HTR3A (0.49) | HTR3AKCNH2CYP1A2HTR2ASLC6A4 | |
| Fumaric Acid SCHEMBL10427999 | 0.87 | HTR3A (0.49) | HTR3AKCNH2CYP1A2HTR2ASLC6A4 | |
| Hydrochloric Acid SCHEMBL7288025 | 0.85 | HTR3A (0.52) | HTR3AKCNH2CYP1A2HTR2ASLC6A4 | |
| Hydrochloric Acid SCHEMBL7280808 | 0.85 | HTR3A (0.49) | HTR3AKCNH2CYP1A2HTR2ASLC6A4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0313393-B1 | Benzoxazine compounds and pharmaceutical use thereof | YOSHITOMI PHARMACEUTICAL (JP) | 1994-03-16 | — | — | EP | disclosed |
| US-4892872-A | ANTIEMETICS, ANTINAUSEA | YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) | 1990-01-09 | — | — | US | disclosed |
| EP-0313393-A2 | Benzoxazine compounds and pharmaceutical use thereof | Yoshitomi Pharmaceutical Industries, Ltd. (JP) | 1989-04-26 | — | — | EP | disclosed |