Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | HTR3A | P46098 | 5/20 | 0.44 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.44 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.44 |
| ▸ | HTR3B | O95264 | 1/20 | 0.44 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.44 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.44 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.44 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.44 |
| ▸ | SLC47A1 | Q96FL8 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL15632467 | 0.80 | ALDH1A1 (0.68) | ALDH1A1HTR3AHTR3ESLC22A2HTR3B | |
| SCHEMBL4756059 | 0.80 | ALDH1A1 (0.50) | ALDH1A1HTR3AHTR3ESLC22A2HTR3B | |
| SCHEMBL7397643 | 0.79 | ALDH1A1 (0.49) | ALDH1A1HTR3AHTR3ESLC22A2HTR3B | |
| SCHEMBL7397644 | 0.79 | ALDH1A1 (0.49) | ALDH1A1HTR3AHTR3ESLC22A2HTR3B | |
| SCHEMBL4321226 | 0.77 | BTK (0.59) | ALDH1A1HTR3AHTR3ESLC22A2HTR3B | |
| SCHEMBL17152226 | 0.75 | ALDH1A1 (0.41) | ALDH1A1HTR3AHTR3ESLC22A2HTR3B | |
| Oxalic Acid SCHEMBL7395703 | 0.75 | ALDH1A1 (0.45) | ALDH1A1HTR3AHTR3ESLC22A2HTR3B | |
| SCHEMBL1781470 | 0.74 | ADH1B (0.52) | ALDH1A1HTR3AHTR3ESLC22A2HTR3B | |
| SCHEMBL13189336 | 0.74 | ADH1B (0.52) | ALDH1A1HTR3AHTR3ESLC22A2HTR3B | |
| SCHEMBL9730026 | 0.72 | MEN1 (0.53) | ALDH1A1HTR3AHTR3EHTR3BHTR3D |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1487833-B1 | PROCESS FOR PREPARING A PHARMACEUTICALLY ACTIVE COMPOUND (GRANISETRON) | VITA CIENTIFICA S L (ES) | 2005-07-06 | — | — | EP | disclosed |