Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 2/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | HTR2B | P41595 | 1/20 | 0.33 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | ERN1 | O75460 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 2/20 | 0.32 |
| ▸ | POLB | P06746 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | ESR1 | P03372 | 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 | |
|---|---|---|---|---|
| SCHEMBL436853 | 0.79 | TDP1 (0.48) | SMN1; SMN2IDO1LMNATP53HTT | |
| SCHEMBL435684 | 0.76 | LMNA (0.34) | HTR2ASLC6A4KCNH2SMN1; SMN2TSHR | |
| SCHEMBL22171539 | 0.73 | CYP3A4 (0.50) | CYP3A4SMN1; SMN2IDO1RAPGEF4TP53 | |
| SCHEMBL14212001 | 0.72 | CYP3A4 (0.41) | CYP3A4HTR2ASLC6A4KCNH2IDO1 | |
| SCHEMBL28030980 | 0.71 | CYP3A4 (0.48) | CYP3A4SMN1; SMN2IDO1TSHRRAPGEF4 | |
| SCHEMBL27496764 | 0.71 | TSHR (0.45) | SMN1; SMN2TSHRLMNATP53HTT | |
| SCHEMBL6258762 | 0.70 | CYP3A4 (0.46) | CYP3A4SMN1; SMN2IDO1RAPGEF4LMNA | |
| SCHEMBL7820969 | 0.70 | CYP3A4 (0.46) | CYP3A4SMN1; SMN2IDO1RAPGEF4TP53 | |
| SCHEMBL29957786 | 0.70 | ERN1 (0.57) | CYP3A4SMN1; SMN2TSHRLMNATP53 | |
| SCHEMBL436098 | 0.70 | HSD17B10 (0.46) | SMN1; SMN2LMNAHTTKMT2AALDH1A1 |
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-2260032-A2 | FUNGICIDAL HETERCYCLIC COMPOUNDS | E. I. du Pont de Nemours and Company (US) | 2010-12-15 | — | — | EP | disclosed |
| WO-2009094445-A2 | FUNGICIDAL HETERCYCLIC COMPOUNDS | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2009-07-30 | — | — | WO | disclosed |