Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR4 | Q13639 | 14/20 | 0.55 |
| ▸ | ACHE | P22303 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | DRD2 | P14416 | 1/20 | 0.44 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.44 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.44 |
| ▸ | DRD4 | P21917 | 1/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.44 |
| ▸ | HTR2A | P28223 | 1/20 | 0.44 |
| ▸ | HTR2C | P28335 | 1/20 | 0.44 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.44 |
| ▸ | DRD3 | P35462 | 1/20 | 0.44 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.44 |
| ▸ | HTR2B | P41595 | 1/20 | 0.44 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.44 |
| ▸ | HTR3A | P46098 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL6588490 | 0.93 | HTR4 (0.57) | HTR4ACHECYP1A2CYP3A4ADRA2A | |
| SCHEMBL6591074 | 0.90 | HTR4 (0.52) | HTR4ACHECYP1A2CYP3A4ADRA2A | |
| SCHEMBL6586470 | 0.90 | HTR4 (0.52) | HTR4ACHECYP1A2CYP3A4ADRA2A | |
| SCHEMBL6586524 | 0.89 | HTR4 (0.71) | HTR4ACHECYP1A2CYP3A4ADRA2A | |
| SCHEMBL6587854 | 0.89 | HTR4 (0.51) | HTR4ACHECYP1A2CYP3A4ADRA2A | |
| SCHEMBL6584501 | 0.88 | HTR4 (0.50) | HTR4ACHECYP1A2CYP3A4ADRA2A | |
| Fumaric Acid SCHEMBL6590852 | 0.87 | HTR4 (0.49) | HTR4ACHECYP1A2CYP3A4ADRA2A | |
| Fumaric Acid SCHEMBL6586298 | 0.85 | HTR4 (0.47) | HTR4ACHECYP1A2CYP3A4ADRA2A | |
| SCHEMBL6583145 | 0.83 | HTR4 (0.73) | HTR4ACHECYP1A2CYP3A4ADRA2A | |
| SCHEMBL6584868 | 0.80 | HTR4 (0.64) | HTR4ACHE |
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-6294555-B1 | SEROTONIN HT3 RECEPTOR ANTAGONIST FOR GASTROINTESTINAL DISORDERS | DAINIPPON PHARMACEUTICAL CO., LTD. (JP) | 2001-09-25 | — | — | US | disclosed |