Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 6/20 | 0.44 |
| ▸ | CASP1 | P29466 | 2/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | CPN1 | P15169 | 1/20 | 0.40 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | CA9 | Q16790 | 2/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA7 | P43166 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.37 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.36 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.36 |
| ▸ | MIF | P14174 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | HTR2B | P41595 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL21880676 | 0.82 | CYP3A4 (0.42) | CYP3A4CASP1RECQLCPN1CPB2 | |
| SCHEMBL1935120 | 0.79 | CPN1 (0.40) | CYP3A4CASP1RECQLCPN1CPB2 | |
| SCHEMBL272384 | 0.78 | CYP3A4 (0.52) | CYP3A4CASP1RECQLCPN1CPB2 | |
| SCHEMBL30349751 | 0.78 | CYP3A4 (0.52) | CYP3A4CASP1RECQLCPN1CPB2 | |
| SCHEMBL104340 | 0.78 | CYP3A4 (0.52) | CYP3A4CASP1RECQLCPN1CPB2 | |
| SCHEMBL2023304 | 0.76 | CYP3A4 (0.50) | CYP3A4CASP1RECQLCPN1CPB2 | |
| SCHEMBL31226349 | 0.76 | CYP3A4 (0.50) | CYP3A4CASP1RECQLCPN1CPB2 | |
| SCHEMBL8281139 | 0.76 | CYP3A4 (0.50) | CYP3A4CASP1RECQLCPN1CPB2 | |
| SCHEMBL3476361 | 0.76 | CYP3A4 (0.50) | CYP3A4CASP1RECQLCPN1CPB2 | |
| SCHEMBL8281143 | 0.76 | CYP3A4 (0.50) | CYP3A4CASP1RECQLCPN1CPB2 |
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-2331512-A1 | ALKOXY-SUBSTITUTED AND ALKYLTHIO-SUBSTITUTED ANILINOPYRIMIDINES | Bayer CropScience AG (DE) | 2011-06-15 | — | — | EP | disclosed |
| WO-2010025833-A1 | ALKOXY-SUBSTITUTED AND ALKYLTHIO-SUBSTITUTED ANILINOPYRIMIDINES | BAYER CROPSCIENCE AG (DE) | 2010-03-11 | — | — | WO | disclosed |