Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.32 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.32 |
| ▸ | DAO | P14920 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | BACE1 | P56817 | 1/20 | 0.32 |
| ▸ | KIF11 | P52732 | 1/20 | 0.32 |
| ▸ | NOS3 | P29474 | 1/20 | 0.31 |
| ▸ | NOS1 | P29475 | 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 | |
|---|---|---|---|---|
| SCHEMBL16061706 | 0.81 | TRPA1 (0.40) | TRPA1CYP2A6CYP1A2ALDH1A1NPC1 | |
| SCHEMBL16952695 | 0.79 | TRPA1 (0.39) | TRPA1CYP2A6CYP1A2ALDH1A1NPC1 | |
| SCHEMBL11020423 | 0.79 | CYP2A6 (0.48) | TRPA1CYP2A6CYP1A2ALDH1A1NPC1 | |
| SCHEMBL16959760 | 0.79 | MAPT (0.36) | CYP2A6CYP1A2MAPTSMN1; SMN2L3MBTL1 | |
| SCHEMBL16955719 | 0.78 | TRPA1 (0.38) | TRPA1CYP2A6CYP1A2ALDH1A1NPC1 | |
| SCHEMBL16955176 | 0.78 | IDO1 (0.36) | CYP1A2LMNAMAPK1RAB9APOLB | |
| SCHEMBL16956362 | 0.78 | GABRA1 (0.35) | CYP1A2ALDH1A1LMNAMAPTMAPK1 | |
| SCHEMBL16958833 | 0.78 | MAPT (0.34) | LMNAMAPTMAPK1SMN1; SMN2FFAR1 | |
| SCHEMBL16959159 | 0.75 | CYP2A6 (0.44) | CYP2A6ALDH1A1FFAR1 | |
| SCHEMBL16959547 | 0.75 | APLNR (0.41) | CYP2A6CYP1A2ALDH1A1MAPTL3MBTL1 |
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 |