Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RORC | P51449 | 1/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 3/20 | 0.34 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.33 |
| ▸ | HTR3B | O95264 | 1/20 | 0.33 |
| ▸ | HTR3A | P46098 | 1/20 | 0.33 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.33 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.33 |
| ▸ | CD38 | P28907 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | ASAH1 | Q13510 | 2/20 | 0.32 |
| ▸ | PER2 | O15055 | 1/20 | 0.32 |
| ▸ | CRY1 | Q16526 | 1/20 | 0.32 |
| ▸ | CRY2 | Q49AN0 | 1/20 | 0.32 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | CNR2 | P34972 | 1/20 | 0.30 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.30 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL20183662 | 0.88 | RORC (0.36) | RORCHSP90AA1HTR3EHTR3BHTR3A | |
| SCHEMBL20183495 | 0.78 | RORC (0.36) | RORCHSP90AA1TP53MAPTALDH1A1 | |
| SCHEMBL20183601 | 0.78 | NPY5R (0.38) | RORCHTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL20183810 | 0.78 | RORC (0.36) | RORCHSP90AA1TP53MAPTALDH1A1 | |
| SCHEMBL20183606 | 0.77 | ALOX15 (0.45) | RORCHSP90AA1TP53MAPTNPY5R | |
| SCHEMBL20183698 | 0.76 | TP53 (0.35) | RORCHSP90AA1TP53MAPTALDH1A1 | |
| SCHEMBL20183793 | 0.76 | HSP90AA1 (0.36) | RORCHSP90AA1HTR3EHTR3BHTR3A | |
| SCHEMBL20354219 | 0.76 | ALDH1A1 (0.39) | RORCHSP90AA1TP53MAPTALDH1A1 | |
| SCHEMBL20183796 | 0.76 | RORC (0.38) | RORCHSP90AA1TP53MAPTALDH1A1 | |
| SCHEMBL20183728 | 0.76 | MAPT (0.40) | RORCHSP90AA1HTR3EHTR3BHTR3A |
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-3327004-B1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND | FUJIFILM CORP (JP) | 2020-11-04 | — | — | EP | disclosed |
| EP-3327004-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND | Fujifilm Corporation (JP) | 2018-05-30 | — | — | EP | disclosed |