Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.39 |
| ▸ | FYN | P06241 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | AHR | P35869 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | CASP1 | P29466 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6742211 | 0.78 | CYP1A2 (0.50) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL7774162 | 0.72 | CYP1A2 (0.49) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL18546810 | 0.70 | HSD17B10 (0.57) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL6050852 | 0.68 | ERBB2 (0.35) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL55779 | 0.67 | HSD17B10 (0.50) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL27923136 | 0.61 | CYP1A2 (0.47) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL7861352 | 0.61 | CYP1A2 (0.40) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL18546816 | 0.60 | CYP1A2 (0.59) | CYP1A2ERBB2FYNMAOAACHE | |
| Benzo[Def]Chrysene SCHEMBL23414475 | 0.59 | CYP1A2 (1.00) | CYP1A2ERBB2FYNMAOAACHE | |
| Benzo[Def]Chrysene SCHEMBL24019 | 0.59 | CYP1A2 (1.00) | CYP1A2ERBB2FYNMAOAACHE |
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-1636232-A2 | IMMUNOSUPPRESSIVE EFFECTS OF PTERIDINE DERIVATIVES | 4 AZA Bioscience nv (BE) | 2006-03-22 | — | — | EP | disclosed |
| WO-2004104005-A2 | IMMUNOSUPPRESSIVE EFFECTS OF PTERIDINE DERIVATIVES | 4 AZA BIOSCIENCE NV (BE) | 2004-12-02 | — | — | WO | disclosed |