Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.68 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.68 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.68 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.68 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.68 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.68 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.68 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.68 |
| ▸ | HTR3B | O95264 | 1/20 | 0.68 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.68 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.68 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.68 |
| ▸ | HTR2B | P41595 | 1/20 | 0.68 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.68 |
| ▸ | HTR3A | P46098 | 1/20 | 0.68 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.68 |
| ▸ | SLC47A2 | Q86VL8 | 1/20 | 0.68 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.68 |
| ▸ | SLC47A1 | Q96FL8 | 1/20 | 0.68 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL682811 | 0.84 | CYP3A4 (0.72) | CYP3A4KCNH2CYP1A2CYP2D6HTR3E | |
| Ondansetron SCHEMBL6059917 | 0.81 | CYP3A4 (1.00) | CYP3A4KCNH2CYP1A2CYP2D6HTR3E | |
| (S)-Ondansetron SCHEMBL4543 | 0.81 | CYP3A4 (1.00) | CYP3A4KCNH2CYP1A2CYP2D6HTR3E | |
| Ondansetron SCHEMBL4542 | 0.81 | CYP3A4 (1.00) | CYP3A4KCNH2CYP1A2CYP2D6HTR3E | |
| Ondansetron SCHEMBL1560211 | 0.81 | CYP3A4 (1.00) | CYP3A4KCNH2CYP1A2CYP2D6HTR3E | |
| Ondansetron SCHEMBL29358872 | 0.81 | CYP3A4 (1.00) | CYP3A4KCNH2CYP1A2CYP2D6HTR3E | |
| (R)-Ondansetron SCHEMBL848379 | 0.81 | CYP3A4 (1.00) | CYP3A4KCNH2CYP1A2CYP2D6HTR3E | |
| (R)-Ondansetron SCHEMBL29742665 | 0.81 | CYP3A4 (1.00) | CYP3A4KCNH2CYP1A2CYP2D6HTR3E | |
| (S)-Ondansetron SCHEMBL25017 | 0.80 | CYP3A4 (0.98) | CYP3A4KCNH2CYP1A2CYP2D6HTR3E | |
| (R)-Ondansetron SCHEMBL5123895 | 0.80 | CYP3A4 (0.98) | CYP3A4KCNH2CYP1A2CYP2D6HTR3E |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5202343-A | Treating anxiety, psychological disorders | GLAXO GROUP LIMITED (GB) | 1993-04-13 | — | — | US | disclosed |
| 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 |