Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | PTGER2 | P43116 | 5/20 | 0.36 |
| ▸ | TBXA2R | P21731 | 2/20 | 0.36 |
| ▸ | PTGER3 | P43115 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | PPARA | Q07869 | 1/20 | 0.35 |
| ▸ | EEF2K | O00418 | 1/20 | 0.34 |
| ▸ | KIF11 | P52732 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28913519 | 0.83 | KDM1A (0.40) | FFAR1SMN1; SMN2TSHRALDH1A1 | |
| SCHEMBL28308491 | 0.82 | KDM1A (0.38) | MEN1KMT2A | |
| SCHEMBL28308488 | 0.82 | CYP2C9 (0.40) | MEN1KMT2ALMNACYP2C9TSHR | |
| SCHEMBL28307707 | 0.82 | KDM1A (0.38) | MEN1KMT2AFFAR1 | |
| SCHEMBL28308490 | 0.81 | KMT2A (0.41) | MEN1KMT2AFFAR1SMN1; SMN2LMNA | |
| SCHEMBL28308513 | 0.80 | CYP3A4 (0.34) | SMN1; SMN2 | |
| Bicarbonate SCHEMBL10767832 | 0.71 | LMNA (0.42) | MEN1KMT2ASMN1; SMN2LMNACYP2C9 | |
| SCHEMBL9820967 | 0.69 | KDM1A (0.39) | MEN1KMT2ASMN1; SMN2PTGER2TBXA2R | |
| SCHEMBL28520610 | 0.66 | ALDH1A1 (0.42) | PTGER2TBXA2RPTGER3LMNACYP2C9 | |
| SCHEMBL28374035 | 0.66 | FFAR1 (0.58) | MEN1KMT2AFFAR1SMN1; SMN2EEF2K |
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-109912418-A | A kind of preparation method of trans- -4- phenyl -3-butenoic acid ethyl ester compound | 大连理工大学 | 2019-06-21 | — | — | CN | disclosed |