Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR3 | P46089 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | PDE2A | O00408 | 1/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.34 |
| ▸ | SYK | P43405 | 1/20 | 0.34 |
| ▸ | KCNK3 | O14649 | 2/20 | 0.33 |
| ▸ | KCNK9 | Q9NPC2 | 2/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
| ▸ | SCN9A | Q15858 | 3/20 | 0.33 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.31 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 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 | |
|---|---|---|---|---|
| SCHEMBL13523564 | 0.81 | ACHE (0.48) | GPR3ACHECA1CA2CA9 | |
| SCHEMBL10801181 | 0.79 | GPR3 (0.43) | GPR3ACHEALDH1A1CYP3A4PDE2A | |
| SCHEMBL16955971 | 0.78 | GPR3 (0.37) | GPR3ACHEALDH1A1CYP3A4PDE2A | |
| SCHEMBL16961789 | 0.78 | GPR3 (0.40) | GPR3PDE2AEPHX2FFAR4 | |
| SCHEMBL2043198 | 0.78 | GPR3 (0.46) | GPR3CYP3A4PDE2AEPHX2SCN9A | |
| SCHEMBL900955 | 0.78 | PDE2A (0.50) | GPR3ACHEALDH1A1CYP3A4PDE2A | |
| SCHEMBL13523552 | 0.78 | SYK (0.53) | GPR3ACHEALDH1A1CYP3A4PDE2A | |
| SCHEMBL16952353 | 0.77 | CA12 (0.45) | CA1CA2CA9ALDH1A1CYP3A4 | |
| Methane SCHEMBL24038417 | 0.76 | PDE2A (0.49) | GPR3ACHEALDH1A1CYP3A4PDE2A | |
| SCHEMBL1105470 | 0.76 | ACHE (0.65) | GPR3ACHECA1CA2CA9 |
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-2900645-A1 | 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION | Bayer CropScience AG (DE) | 2015-08-05 | — | — | EP | disclosed |