Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE5A | O76074 | 2/20 | 0.53 |
| ▸ | TGFBR1 | P36897 | 6/20 | 0.52 |
| ▸ | ABCG2 | Q9UNQ0 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.47 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.46 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.46 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.46 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.46 |
| ▸ | GPR84 | Q9NQS5 | 2/20 | 0.45 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.45 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | GRM5 | P41594 | 1/20 | 0.43 |
| ▸ | NEK1 | Q96PY6 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL13680584 | 0.82 | GABRG2 (0.53) | GABRG2GABRB3GABRA5GABRA3LMNA | |
| SCHEMBL6120916 | 0.82 | TGFBR1 (0.54) | TGFBR1KDM4EMAPK14 | |
| SCHEMBL8816575 | 0.81 | ADORA2A (0.62) | PDE5AABCG2KDM4EMAPTABCB1 | |
| SCHEMBL8819255 | 0.81 | TGFBR1 (0.47) | TGFBR1ABCG2MAPTMAPK14SMN1; SMN2 | |
| SCHEMBL8814729 | 0.81 | NR1I3 (0.54) | TGFBR1ABCG2MAPTABCB1MAPK14 | |
| SCHEMBL8816445 | 0.79 | TGFBR1 (0.46) | TGFBR1MAPK14 | |
| SCHEMBL8815695 | 0.79 | ADORA2A (0.58) | TGFBR1ABCG2MAPK14 | |
| SCHEMBL8815752 | 0.79 | MEN1 (0.51) | TGFBR1KDM4EMAPTMAPK14LMNA | |
| SCHEMBL8816177 | 0.79 | NR1I3 (0.51) | PDE5ATGFBR1ABCG2KDM4EMAPK14 | |
| SCHEMBL8817436 | 0.79 | TGFBR1 (0.47) | TGFBR1ABCG2ABCB1MAPK14 |
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-2012066122-A1 | 2 - (PYRIDIN- 2 -YL) -QUINAZOLINE DERIVATIVES AND THEIR USE AS MICROBICIDES | SYNGENTA PARTICIPATIONS AG (CH) | 2012-05-24 | — | — | WO | disclosed |