Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.63 |
| ▸ | TSHR | P16473 | 3/20 | 0.63 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | CASP7 | P55210 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 3/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | TERT | O14746 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.42 |
| ▸ | CASP1 | P29466 | 1/20 | 0.42 |
| ▸ | CD44 | P16070 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 4/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | APAF1 | O14727 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8121628 | 0.88 | CYP3A4 (0.55) | CYP3A4TSHRMAPK1ALDH1A1CYP1A2 | |
| SCHEMBL4508097 | 0.88 | TSHR (0.63) | CYP3A4TSHRMAPK1ALDH1A1CYP1A2 | |
| SCHEMBL9068413 | 0.86 | CYP3A4 (0.46) | CYP3A4TSHRMAPK1ALDH1A1CYP1A2 | |
| SCHEMBL2321600 | 0.86 | CYP3A4 (0.52) | CYP3A4TSHRMAPK1ALDH1A1CYP1A2 | |
| SCHEMBL17298241 | 0.85 | CYP3A4 (0.58) | CYP3A4TSHRMAPK1ALDH1A1CYP1A2 | |
| SCHEMBL33943 | 0.84 | CYP3A4 (0.86) | CYP3A4TSHRMAPK1ALDH1A1CYP1A2 | |
| SCHEMBL5519306 | 0.84 | MAPT (0.50) | CYP3A4TSHRMAPK1ALDH1A1ALOX15 | |
| SCHEMBL10620546 | 0.83 | CYP3A4 (0.43) | CYP3A4TSHRMAPK1ALDH1A1CYP1A2 | |
| Benzene SCHEMBL27906205 | 0.83 | CYP3A4 (0.57) | CYP3A4TSHRMAPK1ALDH1A1CYP1A2 | |
| SCHEMBL272760 | 0.82 | CYP3A4 (0.63) | CYP3A4TSHRMAPK1ALDH1A1CYP1A2 |
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-2402329-A1 | Analgetic phenylsulphonamides | Boehringer Ingelheim International GmbH (DE) | 2012-01-04 | — | — | EP | disclosed |