Known targets — ChEMBL curated mechanism
ACEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ATP4AATP4BAXLBTKCACNA1CCACNA1DCACNA1FCACNA1SCCR5CHRM2CHRM3CPT1BCPT2DPP4DRD1DRD2EGFRERBB2ERBB4FLT3HRH1HRH3HTR1AHTR2AHTR2BHTR2CHTR4JAK1JAK2JAK3KCNH2KMT2AMAP2K1MAP2K2MEN1MLNRMPLMTORPPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PLK4PPARGRENS1PR1SLC6A2SLC6A3SLC6A4SMOTYK2atpAatpBatpCatpDatpEatpFatpFHatpGpol
The experimentally established mechanism targets of Galdansetron. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 known ✓ | Q12809 | 3/20 | 0.55 |
| ▸ | HTR2B known ✓ | P41595 | 2/20 | 0.55 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.55 |
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.55 |
| ▸ | HTR2C known ✓ | P28335 | 1/20 | 0.55 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.55 |
| ▸ | HTR3A | P46098 | 3/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.55 |
| ▸ | CASP6 | P55212 | 1/20 | 0.54 |
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.52 |
| ▸ | HTR3B | O95264 | 2/20 | 0.52 |
| ▸ | HTR3D | Q70Z44 | 2/20 | 0.52 |
| ▸ | HTR3C | Q8WXA8 | 2/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.52 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.52 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.52 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.52 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| Galdansetron SCHEMBL10522146 | 1.00 | CYP3A4 (0.55) | CYP3A4KCNH2HTR3ACYP1A2HTR2B | |
| Maleic Acid SCHEMBL9597749 | 0.95 | CYP3A4 (0.53) | CYP3A4KCNH2HTR3ACYP1A2HTR2B | |
| Fumaric Acid SCHEMBL9597755 | 0.95 | CYP3A4 (0.53) | CYP3A4KCNH2HTR3ACYP1A2HTR2B | |
| Galdansetron SCHEMBL635736 | 0.93 | KCNH2 (0.61) | CYP3A4KCNH2HTR3ACYP1A2HTR2B | |
| Galdansetron SCHEMBL4564582 | 0.93 | KCNH2 (0.61) | CYP3A4KCNH2HTR3ACYP1A2HTR2B | |
| Galdansetron SCHEMBL636713 | 0.93 | CASP6 (0.62) | CYP3A4KCNH2HTR3ACYP1A2HTR2B | |
| Fumaric Acid SCHEMBL10523315 | 0.92 | CYP3A4 (0.51) | CYP3A4KCNH2HTR3ACYP1A2HTR2B | |
| Maleic Acid SCHEMBL10523311 | 0.92 | CYP3A4 (0.51) | CYP3A4KCNH2HTR3ACYP1A2HTR2B | |
| Galdansetron SCHEMBL9597123 | 0.92 | CASP6 (0.61) | CYP3A4KCNH2HTR3ACYP1A2HTR2B | |
| Maleic Acid SCHEMBL9597516 | 0.89 | CYP3A4 (0.42) | CYP3A4KCNH2HTR3ACYP1A2HTR2B |
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-4859662-A | Tetrahydro-imidazolylmethylcarbazolones and analogs thereof for treating 5-HT function disturbances | GLAXO GROUP LIMITED (GB) | 1989-08-22 | — | — | US | disclosed |
| US-4822881-A | PSYCHOTIC DISORDERS, ANXIETY, NAUSEA, VOMITING | GLAXO GROUP LIMITED | 1989-04-18 | — | — | US | disclosed |