Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 6/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.35 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.31 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.30 |
| ▸ | CHRNG | P07510 | 1/20 | 0.30 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.30 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.30 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.30 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.30 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.30 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.30 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.30 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL11522277 | 0.78 | TSHR (0.42) | PTGS2PTGS1ALDH1A1 | |
| SCHEMBL13461861 | 0.76 | CYP3A4 (0.45) | CYP3A4PTGS2PTGS1RAPGEF4ALDH1A1 | |
| SCHEMBL11522267 | 0.74 | ESR1 (0.42) | CYP3A4KDM4EALDH1A1MAPT | |
| SCHEMBL13461648 | 0.72 | CYP3A4 (0.41) | CYP3A4PTGS2RAPGEF4NPC1RAB9A | |
| SCHEMBL8219274 | 0.72 | CYP3A4 (0.41) | CYP3A4RAPGEF4NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL16139575 | 0.71 | CHRNB2 (0.34) | CHRNB2CHRNA4 | |
| SCHEMBL7651489 | 0.71 | LMNA (0.38) | CYP3A4ALDH1A1 | |
| SCHEMBL6760551 | 0.71 | ACHE (0.38) | ALDH1A1MAPT | |
| SCHEMBL7049436 | 0.69 | ACHE (0.42) | CYP3A4NPC1ALDH1A1MAPT | |
| SCHEMBL28302763 | 0.69 | ALDH1A1 (0.35) | CYP3A4SMN1; SMN2ALDH1A1SLC6A3MAPT |
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-2773616-B1 | PESTICIDAL COMPOUNDS | SYNGENTA PARTICIPATIONS AG (CH) | 2020-02-19 | — | — | EP | disclosed |