Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 7/20 | 0.54 |
| ▸ | CES1 | P23141 | 6/20 | 0.54 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.41 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.41 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | MITF | O75030 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | TAS1R3 | Q7RTX0 | 2/20 | 0.40 |
| ▸ | TAS1R1 | Q7RTX1 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9057035 | 0.86 | CES2 (0.61) | CES2CES1HTTSMN1; SMN2LMNA | |
| SCHEMBL9056162 | 0.86 | CES2 (0.61) | CES2CES1SMN1; SMN2LMNAALDH1A1 | |
| SCHEMBL19997375 | 0.84 | CES2 (0.44) | CES2CES1HTTSMN1; SMN2LMNA | |
| SCHEMBL7088209 | 0.84 | POLB (0.48) | CES2CES1HTTSMN1; SMN2LMNA | |
| SCHEMBL108193 | 0.82 | TSHR (0.48) | CES2CES1HTTSMN1; SMN2LMNA | |
| SCHEMBL11273619 | 0.79 | LMNA (0.53) | CES2CES1HTTSMN1; SMN2LMNA | |
| SCHEMBL11475491 | 0.79 | BLM (0.51) | CES2CES1HTTSMN1; SMN2LMNA | |
| SCHEMBL11437729 | 0.79 | BLM (0.51) | CES2CES1HTTSMN1; SMN2LMNA | |
| SCHEMBL25616779 | 0.78 | TSHR (0.49) | CES2CES1HTTRAB9ATAS1R3 | |
| SCHEMBL3670046 | 0.76 | KDM4E (0.59) | CES2CES1HTTSMN1; SMN2LMNA |
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-110452148-B | Method for synthesizing polysubstituted pyrrole compound by utilizing alpha-hydroxy ketone, malononitrile and alcohol | 华南理工大学 | 2023-02-14 | — | — | CN | disclosed |