Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPRC | P08575 | 3/20 | 0.36 |
| ▸ | S100A4 | P26447 | 2/20 | 0.36 |
| ▸ | KIF11 | P52732 | 2/20 | 0.35 |
| ▸ | NOX1 | Q9Y5S8 | 1/20 | 0.33 |
| ▸ | BCHE | P06276 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.33 |
| ▸ | TMPRSS4 | Q9NRS4 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.32 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4608374 | 0.79 | VCAM1 (0.37) | PTPRCS100A4BCHEACHECES1 | |
| SCHEMBL3689185 | 0.78 | AKR1C3 (0.36) | PTPRCS100A4BCHEACHECES1 | |
| SCHEMBL7741732 | 0.72 | PTPRC (0.63) | PTPRCS100A4BCHEACHECES1 | |
| SCHEMBL4623845 | 0.68 | PTGDR2 (0.31) | — | |
| SCHEMBL4608378 | 0.68 | LMNA (0.41) | PTPRCS100A4BCHEACHECES1 | |
| SCHEMBL455408 | 0.67 | ESR1 (0.32) | ALDH1A1 | |
| SCHEMBL13043154 | 0.67 | POLB (0.53) | PTPRCS100A4ACHECYP3A4TDP1 | |
| SCHEMBL85657 | 0.65 | PDE7A (0.50) | PTPRCS100A4CYP3A4TDP1ALDH1A1 | |
| SCHEMBL4609724 | 0.65 | ALDH1A1 (0.41) | PTPRCS100A4CYP3A4TDP1ALDH1A1 | |
| SCHEMBL15063901 | 0.64 | HTT (0.53) | ACHECYP3A4TDP1ALDH1A1TSHR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2187748-A2 | FUNGICIDAL COMPOUNDS AND MIXTURES | E. I. du Pont de Nemours and Company (US) | 2010-05-26 | — | — | EP | disclosed |
| WO-2009055514-A2 | FUNGICIDAL MIXTURES | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2009-04-30 | — | — | WO | disclosed |