Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.48 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.44 |
| ▸ | HTR3B | O95264 | 1/20 | 0.44 |
| ▸ | HTR3A | P46098 | 1/20 | 0.44 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.44 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.44 |
| ▸ | IDO1 | P14902 | 3/20 | 0.42 |
| ▸ | PNMT | P11086 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.42 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.40 |
| ▸ | DAO | P14920 | 2/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28565719 | 0.90 | TAAR1 (0.58) | TAAR1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL27698431 | 0.89 | TAAR1 (0.46) | TAAR1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL6230376 | 0.82 | IDO1 (0.53) | TAAR1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL3171625 | 0.81 | TAAR1 (0.48) | TAAR1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL838926 | 0.79 | TAAR1 (0.60) | TAAR1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL2092714 | 0.78 | TAAR1 (0.54) | TAAR1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL2090266 | 0.77 | TAAR1 (0.50) | TAAR1IDO1AOC3HCAR2DAO | |
| SCHEMBL900697 | 0.75 | TAAR1 (0.56) | TAAR1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL3583105 | 0.75 | FFAR1 (0.48) | TAAR1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL3113301 | 0.74 | CYP1A2 (0.44) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1678185-A1 | 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2006-07-12 | — | — | EP | disclosed |
| WO-2005042542-A1 | 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2005-05-12 | — | — | WO | disclosed |