Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR4 | Q13639 | 15/20 | 0.80 |
| ▸ | KCNH2 | Q12809 | 8/20 | 0.78 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.72 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.72 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.72 |
| ▸ | USP2 | O75604 | 1/20 | 0.72 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.72 |
| ▸ | MLNR | O43193 | 1/20 | 0.72 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.72 |
| ▸ | HTR3B | O95264 | 1/20 | 0.72 |
| ▸ | HMGCR | P04035 | 1/20 | 0.72 |
| ▸ | HTR1A | P08908 | 1/20 | 0.72 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.72 |
| ▸ | DRD2 | P14416 | 1/20 | 0.72 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.72 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.72 |
| ▸ | DRD1 | P21728 | 1/20 | 0.72 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.72 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.72 |
| ▸ | HTR2A | P28223 | 1/20 | 0.72 |
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 | |
|---|---|---|---|---|
| SCHEMBL9728694 | 1.00 | HTR4 (0.80) | HTR4KCNH2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL9728697 | 1.00 | HTR4 (0.80) | HTR4KCNH2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL9728371 | 0.93 | HTR4 (0.80) | HTR4KCNH2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL9728381 | 0.93 | HTR4 (0.80) | HTR4KCNH2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL9728308 | 0.93 | HTR4 (0.80) | HTR4KCNH2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL9728312 | 0.93 | HTR4 (0.80) | HTR4KCNH2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL9728377 | 0.93 | HTR4 (0.80) | HTR4KCNH2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL9728324 | 0.93 | HTR4 (0.80) | HTR4KCNH2CYP3A4CYP2D6CYP2C9 | |
| Water SCHEMBL9729374 | 0.92 | HTR4 (0.79) | HTR4KCNH2CYP3A4CYP2D6CYP2C9 | |
| Water SCHEMBL9729364 | 0.92 | HTR4 (0.79) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5130312-A | Gastrointestinal motility stimulators | JANSSEN PHARMACEUTICA N.V. (BE) | 1992-07-14 | — | — | US | disclosed |
| US-4906643-A | Substituted N-(3-hydroxy-4-piperidinyl)benzamides as gastrointestinal agents | JANSSEN PHARMACEUTICA N.V. (BE) | 1990-03-06 | — | — | US | disclosed |