Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 3/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.38 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.38 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7522304 | 1.00 | PTGS1 (0.39) | PTGS1CES2CES1NR4A1NR4A2 | |
| SCHEMBL7859294 | 0.81 | SMN1; SMN2 (0.43) | CES2CES1MAPTSMN1; SMN2ALDH1A1 | |
| SCHEMBL8499333 | 0.81 | SMN1; SMN2 (0.43) | CES2CES1MAPTSMN1; SMN2ALDH1A1 | |
| SCHEMBL7798874 | 0.80 | LTA4H (0.42) | MAPTMAOB | |
| SCHEMBL8501552 | 0.78 | TRPA1 (0.43) | MAPTSMN1; SMN2ALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL7609636 | 0.78 | TRPA1 (0.43) | MAPTSMN1; SMN2ALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL8720211 | 0.78 | GSK3B (0.50) | CES2CES1MAPTSMN1; SMN2ALDH1A1 | |
| SCHEMBL5597826 | 0.78 | GAA (0.41) | CES2CES1MAPTSMN1; SMN2ALDH1A1 | |
| SCHEMBL8460844 | 0.78 | GAA (0.41) | CES2CES1MAPTSMN1; SMN2ALDH1A1 | |
| SCHEMBL2056188 | 0.78 | CES2 (0.45) | PTGS1CES2CES1NR4A1NR4A2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0837856-B1 | PESTICIDAL TRIS-OXIMINO HETEROCYCLIC COMPOUNDS | BAYER AG (DE) | 2002-06-19 | — | — | EP | disclosed |
| EP-1184368-A1 | Intermediates for pesticidal tris-oximino heterocyclic compounds | BAYER AG (DE) | 2002-03-06 | — | — | EP | disclosed |
| US-6150386-A | PEST CONTROL, IN PARTICULAR, AS MICROBICIDES, INSECTICIDES AND ACARICIDES IN AGRICULTURE, IN HORTICULTURE AND HYGIENE SECTOR; CROP STORAGE; FUNGICIDES | NOVARTIS CROP PROTECTION, INC. (US) | 2000-11-21 | — | — | US | disclosed |
| EP-0837856-A1 | PESTICIDAL TRIS-OXIMINO HETEROCYCLIC COMPOUNDS | Novartis AG (CH) | 1998-04-29 | — | — | EP | disclosed |
| WO-1997000866-A1 | PESTICIDAL TRIS-OXIMINO HETEROCYCLIC COMPOUNDS | NOVARTIS AG (CH) | 1997-01-09 | — | — | WO | disclosed |