Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | CES2 | O00748 | 1/20 | 0.52 |
| ▸ | CES1 | P23141 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 3/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | ESR1 | P03372 | 1/20 | 0.49 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | PARP1 | P09874 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 3/20 | 0.47 |
| ▸ | RAB9A | P51151 | 3/20 | 0.47 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.47 |
| ▸ | ACR | P10323 | 1/20 | 0.47 |
| ▸ | BCHE | P06276 | 1/20 | 0.47 |
| ▸ | CTBP2 | P56545 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL29155472 | 0.84 | LMNA (0.62) | LMNAMEN1KMT2APOLBBCHE | |
| SCHEMBL28835525 | 0.84 | LMNA (0.53) | LMNACES2CES1MEN1KMT2A | |
| SCHEMBL30524396 | 0.84 | LMNA (0.62) | LMNAMEN1KMT2APOLBBCHE | |
| SCHEMBL27884621 | 0.83 | LMNA (0.56) | LMNACES2CES1MEN1KMT2A | |
| SCHEMBL9671485 | 0.82 | LMNA (0.59) | LMNACES2CES1MEN1KMT2A | |
| SCHEMBL8048513 | 0.80 | CES2 (0.59) | LMNACES2CES1MEN1KMT2A | |
| SCHEMBL30463307 | 0.80 | CES2 (0.59) | LMNACES2CES1MEN1KMT2A | |
| 1,3-Dimethoxybenzene SCHEMBL28200783 | 0.80 | LMNA (0.61) | LMNACES2CES1MEN1KMT2A | |
| SCHEMBL7186457 | 0.80 | CES2 (0.50) | LMNACES2CES1MEN1KMT2A | |
| SCHEMBL11404776 | 0.80 | AKR1C3 (0.58) | CES2CES1KMT2AKDM4ENPC1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109071520-B | Microbicidal oxadiazole derivatives | 先正达参股股份有限公司 | 2022-06-14 | — | — | CN | disclosed |