Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.42 |
| ▸ | TSHR | P16473 | 4/20 | 0.42 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CASP7 | P55210 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.39 |
| ▸ | TP53 | P04637 | 2/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | CD44 | P16070 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 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 | |
|---|---|---|---|---|
| SCHEMBL8063101 | 0.83 | CYP3A4 (0.48) | CYP3A4TSHRALDH1A1CYP1A2TDP1 | |
| SCHEMBL10845366 | 0.83 | HTR2A (0.41) | CYP3A4TSHRPIK3CAALDH1A1ALOX15 | |
| SCHEMBL2776271 | 0.83 | ALDH1A1 (0.40) | CYP3A4TSHRPIK3CAALDH1A1ALOX15 | |
| SCHEMBL39192 | 0.82 | CYP3A4 (0.43) | CYP3A4TSHRPIK3CAALDH1A1ALOX15 | |
| SCHEMBL8538345 | 0.81 | CYP3A4 (0.39) | CYP3A4TSHRPIK3CAALDH1A1ALOX15 | |
| SCHEMBL17998039 | 0.81 | CYP3A4 (0.39) | CYP3A4TSHRPIK3CAALDH1A1ALOX15 | |
| SCHEMBL11466097 | 0.80 | SKP2 (0.47) | CYP3A4TSHRALDH1A1ALOX15HSD17B10 | |
| SCHEMBL30906995 | 0.80 | SKP2 (0.47) | CYP3A4TSHRALDH1A1ALOX15HSD17B10 | |
| SCHEMBL6320495 | 0.80 | POLB (0.42) | CYP3A4TSHRPIK3CAALDH1A1ALOX15 | |
| SCHEMBL3674174 | 0.78 | GABRA1 (0.36) | TSHRALDH1A1ALOX15HSD17B10CYP1A2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0668101-B1 | Ruthenium catalysts, their preparation and their use in the preparation of cycloaliphatic polyamines | BAYER AG (DE) | 2000-06-07 | — | — | EP | disclosed |
| US-5663443-A | HYDROGENATION | BAYER AKTIENGESELLSCHAFT (DE) | 1997-09-02 | — | — | US | disclosed |
| EP-0668101-A1 | Ruthenium catalysts, their preparation and their use in the preparation of cycloaliphatic polyamines | BAYER AG (DE) | 1995-08-23 | — | — | EP | disclosed |