Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | HTR3A | P46098 | 2/20 | 0.47 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.47 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.47 |
| ▸ | HTR3B | O95264 | 1/20 | 0.47 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.47 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.47 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.47 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.47 |
| ▸ | SLC47A1 | Q96FL8 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL9730018 | 0.92 | MEN1 (0.53) | ALDH1A1HTR3AHTR3EHTR3BHTR3D | |
| SCHEMBL9730026 | 0.92 | MEN1 (0.53) | ALDH1A1HTR3AHTR3EHTR3BHTR3D | |
| SCHEMBL15632467 | 0.85 | ALDH1A1 (0.68) | ALDH1A1HTR3AHTR3ESLC22A2HTR3B | |
| SCHEMBL7397644 | 0.83 | ALDH1A1 (0.49) | ALDH1A1HTR3AHTR3ESLC22A2HTR3B | |
| SCHEMBL7397643 | 0.83 | ALDH1A1 (0.49) | ALDH1A1HTR3AHTR3ESLC22A2HTR3B | |
| Oxalic Acid SCHEMBL7395703 | 0.82 | ALDH1A1 (0.45) | ALDH1A1HTR3AHTR3ESLC22A2HTR3B | |
| SCHEMBL6183384 | 0.80 | ALDH1A1 (0.46) | ALDH1A1HTR3AHTR3ESLC22A2HTR3B | |
| SCHEMBL4758747 | 0.80 | ALDH1A1 (0.58) | ALDH1A1MEN1KMT2ACYP2D6L3MBTL1 | |
| SCHEMBL4321226 | 0.78 | BTK (0.59) | ALDH1A1HTR3AHTR3ESLC22A2HTR3B | |
| SCHEMBL12474151 | 0.76 | KDM4E (0.44) | ALDH1A1MEN1KMT2ACYP2D6L3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008019363-A2 | 2-ALKYLBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS | ALBANY MOLECULAR RESEARCH, INC. (US) | 2008-02-14 | — | — | WO | disclosed |