Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Ondansetron. 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 | |
|---|---|---|---|---|
| ▸ | HTR3A known ✓ | P46098 | 1/20 | 0.85 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.85 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.85 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.85 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.85 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.85 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.85 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.85 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.85 |
| ▸ | HTR3B | O95264 | 1/20 | 0.85 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.85 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.85 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.85 |
| ▸ | HTR2B | P41595 | 1/20 | 0.85 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.85 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.85 |
| ▸ | SLC47A2 | Q86VL8 | 1/20 | 0.85 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.85 |
| ▸ | SLC47A1 | Q96FL8 | 1/20 | 0.85 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.48 |
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 | |
|---|---|---|---|---|
| Ondansetron SCHEMBL7418034 | 0.94 | CYP3A4 (0.85) | CYP3A4KCNH2CYP1A2CYP2D6HTR3E | |
| Ondansetron SCHEMBL7418042 | 0.94 | CYP3A4 (0.85) | CYP3A4KCNH2CYP1A2CYP2D6HTR3E | |
| (R)-Ondansetron SCHEMBL7172598 | 0.94 | CYP3A4 (0.85) | CYP3A4KCNH2CYP1A2CYP2D6HTR3E | |
| (S)-Ondansetron SCHEMBL7415652 | 0.94 | CYP3A4 (0.85) | CYP3A4KCNH2CYP1A2CYP2D6HTR3E | |
| Ondansetron SCHEMBL5085795 | 0.93 | CYP3A4 (0.89) | CYP3A4KCNH2CYP1A2CYP2D6HTR3E | |
| (R)-Ondansetron SCHEMBL848379 | 0.92 | CYP3A4 (1.00) | CYP3A4KCNH2CYP1A2CYP2D6HTR3E | |
| Ondansetron SCHEMBL29358872 | 0.92 | CYP3A4 (1.00) | CYP3A4KCNH2CYP1A2CYP2D6HTR3E | |
| Ondansetron SCHEMBL1560211 | 0.92 | CYP3A4 (1.00) | CYP3A4KCNH2CYP1A2CYP2D6HTR3E | |
| Ondansetron SCHEMBL4542 | 0.92 | CYP3A4 (1.00) | CYP3A4KCNH2CYP1A2CYP2D6HTR3E | |
| (S)-Ondansetron SCHEMBL4543 | 0.92 | CYP3A4 (1.00) | 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-5478949-A | Reacting the starting carbazolone with dialkyl oxalate, then formaldehyde and 2-methylimidazole | RICHTER GEDEON VEGYESZETI GYAR RT. (HU) | 1995-12-26 | — | — | US | disclosed |
| US-5416221-A | ONDANSETRON INTERMEDIATES | RICHTER GEDEON VEGYESZETI GYAR RT. (HU) | 1995-05-16 | — | — | US | disclosed |
| EP-0595111-A1 | Carbazolone derivatives and process for preparing the same | RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) | 1994-05-04 | — | — | EP | disclosed |