Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | CES2 | O00748 | 3/20 | 0.44 |
| ▸ | CES1 | P23141 | 3/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | NAAA | Q02083 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 2/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.39 |
| ▸ | DNM1 | Q05193 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | THRA | P10827 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9169189 | 1.00 | CYP3A4 (0.48) | CYP3A4TDP1CES2CES1KCNH2 | |
| SCHEMBL27869350 | 1.00 | CYP3A4 (0.48) | CYP3A4TDP1CES2CES1KCNH2 | |
| SCHEMBL455480 | 1.00 | CYP3A4 (0.48) | CYP3A4TDP1CES2CES1KCNH2 | |
| SCHEMBL5565882 | 1.00 | CYP3A4 (0.48) | CYP3A4TDP1CES2CES1KCNH2 | |
| SCHEMBL7857041 | 1.00 | CYP3A4 (0.48) | CYP3A4TDP1CES2CES1KCNH2 | |
| SCHEMBL10810735 | 1.00 | CYP3A4 (0.48) | CYP3A4TDP1CES2CES1KCNH2 | |
| SCHEMBL8165832 | 1.00 | CYP3A4 (0.48) | CYP3A4TDP1CES2CES1KCNH2 | |
| SCHEMBL2648008 | 1.00 | CYP3A4 (0.48) | CYP3A4TDP1CES2CES1KCNH2 | |
| SCHEMBL10370405 | 1.00 | CYP3A4 (0.48) | CYP3A4TDP1CES2CES1KCNH2 | |
| SCHEMBL4067213 | 0.98 | CYP3A4 (0.50) | CYP3A4TDP1CES2CES1KCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5723450-A | Substituted pyridines, their preparation, and their use as pesticides and fungicides | HOECHST SCHERING AGREVO GMBH (DE) | 1998-03-03 | — | — | US | disclosed |