Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR4 | Q13639 | 11/20 | 0.62 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | DRD2 | P14416 | 1/20 | 0.54 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.54 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.54 |
| ▸ | DRD4 | P21917 | 1/20 | 0.54 |
| ▸ | ACHE | P22303 | 1/20 | 0.54 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.54 |
| ▸ | HTR2A | P28223 | 1/20 | 0.54 |
| ▸ | HTR2C | P28335 | 1/20 | 0.54 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.54 |
| ▸ | DRD3 | P35462 | 1/20 | 0.54 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.54 |
| ▸ | HTR2B | P41595 | 1/20 | 0.54 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.54 |
| ▸ | HTR3A | P46098 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL7261606 | 0.85 | HTR4 (0.61) | HTR4CYP1A2CYP3A4ADRA2ACYP2D6 | |
| SCHEMBL6276809 | 0.85 | HTR4 (0.61) | HTR4CYP1A2CYP3A4ADRA2ACYP2D6 | |
| SCHEMBL7260329 | 0.85 | HTR4 (0.61) | HTR4CYP1A2CYP3A4ADRA2ACYP2D6 | |
| Fumaric Acid SCHEMBL7264897 | 0.81 | HTR4 (0.56) | HTR4CYP1A2CYP3A4ADRA2ACYP2D6 | |
| Maleic Acid SCHEMBL7260321 | 0.81 | HTR4 (0.56) | HTR4CYP1A2CYP3A4ADRA2ACYP2D6 | |
| Fumaric Acid SCHEMBL6580490 | 0.81 | HTR4 (0.56) | HTR4CYP1A2CYP3A4ADRA2ACYP2D6 | |
| SCHEMBL10486813 | 0.79 | HTR4 (0.72) | HTR4CYP1A2CYP3A4ADRA2ACYP2D6 | |
| Hydrochloric Acid SCHEMBL11543625 | 0.78 | HTR4 (0.68) | HTR4CYP1A2CYP3A4ADRA2ACYP2D6 | |
| SCHEMBL6774580 | 0.78 | HTR4 (0.62) | HTR4CYP1A2CYP3A4ADRA2ACYP2D6 | |
| SCHEMBL6774573 | 0.78 | HTR4 (0.62) | HTR4CYP1A2CYP3A4ADRA2ACYP2D6 |
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-6696468-B2 | GASTROINTESTINAL MOTILITY ENHANCER OR PROKINETIC AGENT; AFFINITY FOR 5-HT4 RECEPTOR; REDUCED SIDE EFFECTS TO HEART OR CENTRAL NERVOUS SYSTEM | DAINIPPON PHARMACEUTICAL CO., LTD. (JP) | 2004-02-24 | — | — | US | claimed |