Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR3A | P46098 | 14/20 | 0.64 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.64 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.64 |
| ▸ | HTR3B | O95264 | 1/20 | 0.64 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.64 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.64 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.64 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.64 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.64 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.64 |
| ▸ | SLC47A1 | Q96FL8 | 1/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.57 |
| ▸ | TSHR | P16473 | 1/20 | 0.57 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.57 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL7391725 | 0.95 | ALDH1A1 (0.63) | HTR3AHTR3ESLC22A2HTR3BCHRNB2 | |
| SCHEMBL7394575 | 0.89 | HTR3A (0.61) | HTR3A | |
| SCHEMBL22449379 | 0.80 | HIF1A (0.56) | ALDH1A1CYP3A4KDM4E | |
| Granisetron SCHEMBL678018 | 0.79 | HTR3A (0.96) | HTR3AHTR3ESLC22A2HTR3BCHRNB2 | |
| SCHEMBL6084369 | 0.78 | KAT2B (0.56) | CHRNB2CHRNA4 | |
| SCHEMBL6084376 | 0.78 | KAT2B (0.56) | CHRNB2CHRNA4 | |
| Granisetron SCHEMBL4890 | 0.78 | HTR3A (1.00) | HTR3AHTR3ESLC22A2HTR3BCHRNB2 | |
| Granisetron SCHEMBL16642163 | 0.78 | HTR3A (1.00) | HTR3AHTR3ESLC22A2HTR3BCHRNB2 | |
| Granisetron SCHEMBL34178 | 0.78 | HTR3A (1.00) | HTR3AHTR3ESLC22A2HTR3BCHRNB2 | |
| Granisetron SCHEMBL4109977 | 0.78 | HTR3A (1.00) | HTR3AHTR3ESLC22A2HTR3BCHRNB2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1991017161-A1 | ISOQUINOLINE AMIDES AND ESTERS AS 5 HT3 RECEPTOR ANTAGONISTS | BEECHAM GROUP PLC (GB) | 1991-11-14 | — | — | WO | claimed |
| WO-1991017161-A1 | ISOQUINOLINE AMIDES AND ESTERS AS 5 HT3 RECEPTOR ANTAGONISTS | BEECHAM GROUP PLC (GB) | 1991-11-14 | — | — | WO | disclosed |