Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 4/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.52 |
| ▸ | HTR2B | P41595 | 2/20 | 0.52 |
| ▸ | HTR3A | P46098 | 2/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.52 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.52 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.52 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.52 |
| ▸ | HTR3B | O95264 | 1/20 | 0.52 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.52 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.52 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.52 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.52 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.52 |
| ▸ | SLC47A2 | Q86VL8 | 1/20 | 0.52 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.52 |
| ▸ | SLC47A1 | Q96FL8 | 1/20 | 0.52 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL14422555 | 0.90 | KCNH2 (0.55) | KCNH2CYP3A4CYP1A2HTR2BHTR3A | |
| SCHEMBL7276207 | 0.83 | CYP3A4 (0.35) | KCNH2CYP3A4CYP1A2HTR2BHTR3A | |
| SCHEMBL9596724 | 0.80 | KCNH2 (0.54) | KCNH2CYP3A4CYP1A2HTR2BHTR3A | |
| SCHEMBL9596317 | 0.80 | KCNH2 (0.56) | KCNH2CYP3A4CYP1A2HTR2BHTR3A | |
| SCHEMBL1101 | 0.79 | KCNH2 (0.60) | KCNH2CYP3A4CYP1A2HTR2BHTR3A | |
| Galdansetron SCHEMBL635736 | 0.76 | KCNH2 (0.61) | KCNH2CYP3A4CYP1A2HTR2BHTR3A | |
| Galdansetron SCHEMBL4564582 | 0.76 | KCNH2 (0.61) | KCNH2CYP3A4CYP1A2HTR2BHTR3A | |
| SCHEMBL7276214 | 0.76 | TSHR (0.35) | CYP3A4TSHR | |
| SCHEMBL10524130 | 0.76 | CYP3A4 (0.51) | KCNH2CYP3A4CYP1A2HTR2BHTR3A | |
| Galdansetron SCHEMBL636713 | 0.75 | CASP6 (0.62) | KCNH2CYP3A4CYP1A2HTR2BHTR3A |
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 |