Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.41 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.41 |
| ▸ | FYN | P06241 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | AHR | P35869 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.36 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | RXRA | P19793 | 1/20 | 0.34 |
| ▸ | PPARG | P37231 | 1/20 | 0.34 |
| ▸ | PPARD | Q03181 | 1/20 | 0.34 |
| ▸ | PPARA | Q07869 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 4/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL10425743 | 0.98 | CYP1A2 (0.42) | CYP1A2ERBB2FYNMAOAACHE | |
| Ammonia Solution, Strong SCHEMBL6841646 | 0.94 | CYP1A2 (0.40) | CYP1A2ERBB2FYNMAOAACHE | |
| Phosphine SCHEMBL131517 | 0.94 | CYP1A2 (0.40) | CYP1A2ERBB2FYNMAOAACHE | |
| Ammonia Solution, Strong SCHEMBL9443279 | 0.90 | CYP1A2 (0.38) | CYP1A2ERBB2FYNMAOAACHE | |
| Phosphine SCHEMBL6661171 | 0.88 | CYP1A2 (0.36) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL1314570 | 0.88 | CYP1A2 (0.40) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL445634 | 0.88 | CYP1A2 (0.40) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL2013080 | 0.87 | CYP1A2 (0.37) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL6249069 | 0.87 | PPARG (0.39) | CYP1A2ERBB2FYNMAOAACHE | |
| Phosphine SCHEMBL7860002 | 0.86 | CYP1A2 (0.34) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0423251-A4 | ASSAY FOR QUALITATIVE AND QUANTITATIVE DETECTION OF ORGANIC AND INORGANIC ANALYTES OF DIVERSE CHEMICAL CLASSES VIA THE SELECTIVE FORMATION AND GROWTH OF LIGHT SCATTERING CRYSTALS | — | 1993-06-09 | — | — | EP | disclosed |