Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR4 | Q13639 | 15/20 | 0.51 |
| ▸ | KCNH2 | Q12809 | 9/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | HTR1A | P08908 | 2/20 | 0.47 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.47 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.47 |
| ▸ | HTR3A | P46098 | 2/20 | 0.47 |
| ▸ | USP2 | O75604 | 1/20 | 0.47 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.47 |
| ▸ | MLNR | O43193 | 1/20 | 0.47 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.47 |
| ▸ | HTR3B | O95264 | 1/20 | 0.47 |
| ▸ | HMGCR | P04035 | 1/20 | 0.47 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.47 |
| ▸ | DRD2 | P14416 | 1/20 | 0.47 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.47 |
| ▸ | DRD1 | P21728 | 1/20 | 0.47 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL8504483 | 1.00 | HTR4 (0.51) | HTR4KCNH2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL8943491 | 1.00 | HTR4 (0.51) | HTR4KCNH2CYP3A4CYP2D6CYP2C9 | |
| Hydrochloric Acid SCHEMBL8687097 | 0.99 | HTR4 (0.51) | HTR4KCNH2CYP3A4CYP2D6CYP2C9 | |
| Hydrochloric Acid SCHEMBL8828845 | 0.99 | HTR4 (0.51) | HTR4KCNH2CYP3A4CYP2D6CYP2C9 | |
| Hydrochloric Acid SCHEMBL8828851 | 0.99 | HTR4 (0.51) | HTR4KCNH2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL9286183 | 0.95 | HTR4 (0.53) | HTR4KCNH2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL8504609 | 0.95 | HTR4 (0.53) | HTR4KCNH2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL14280207 | 0.95 | HTR4 (0.53) | HTR4KCNH2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL8503870 | 0.91 | HTR4 (0.49) | HTR4KCNH2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL8359362 | 0.91 | HTR4 (0.49) | HTR4KCNH2CYP3A4CYP2D6CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| US-5536733-A | GASTROINTESTINAL | JANSSEN PHARMACEUTICA N.V. (BE) | 1996-07-16 | — | — | US | disclosed |
| EP-0669919-A1 | USE OF DIMETHYLBENZOFURANS AND DIMETHYLBENZOPYRANS AS 5-HT3 ANTAGONISTS | JANSSEN PHARMACEUTICA N.V. (BE) | 1995-09-06 | — | — | EP | disclosed |
| WO-1994012494-A1 | USE OF DIMETHYLBENZOFURANS AND DIMETHYLBENZOPYRANS AS 5-HT3 ANTAGONISTS | JANSSEN PHARMACEUTICA N.V. (BE) | 1994-06-09 | — | — | WO | disclosed |