Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | PTPRZ1 | P23471 | 4/20 | 0.43 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.43 |
| ▸ | PPARG | P37231 | 1/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.33 |
| ▸ | KIF11 | P52732 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.31 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.31 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.31 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.31 |
| ▸ | CHRNA4 | P43681 | 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 | |
|---|---|---|---|---|
| SCHEMBL27597567 | 1.00 | ALDH1A1 (0.44) | ALDH1A1KDM4ETDP1PTPRZ1PTPN1 | |
| SCHEMBL256039 | 0.76 | CYP1A1 (0.52) | ALDH1A1KDM4ELMNAHTTSMN1; SMN2 | |
| SCHEMBL27304077 | 0.75 | CYP1A2 (0.50) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL19430857 | 0.75 | CYP1A2 (0.50) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL256696 | 0.75 | CYP1A2 (0.50) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL9967772 | 0.74 | ALDH1A1 (0.44) | ALDH1A1KDM4ETDP1PTPRZ1PTPN1 | |
| SCHEMBL5399931 | 0.74 | ALDH1A1 (0.52) | ALDH1A1KDM4ETDP1PTPRZ1PTPN1 | |
| SCHEMBL1798135 | 0.72 | CA12 (0.61) | ALDH1A1KDM4ELMNASMN1; SMN2MAPT | |
| SCHEMBL1798138 | 0.72 | CA12 (0.61) | ALDH1A1KDM4ELMNASMN1; SMN2MAPT | |
| SCHEMBL9353695 | 0.71 | NFE2L2 (0.54) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012028578-A1 | SUBSTITUTED FUSED PYRIMIDINONES AND DIHYDROPYRIMIDINONES | BAYER CROPSCIENCE AG (DE) | 2012-03-08 | — | — | WO | disclosed |