Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | LDHA | P00338 | 1/20 | 0.41 |
| ▸ | FFAR1 | O14842 | 3/20 | 0.39 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
| ▸ | PPARA | Q07869 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | EDNRB | P24530 | 1/20 | 0.37 |
| ▸ | EDNRA | P25101 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
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) | FFAR1TSHRALDH1A1SMN1; SMN2 | |
| SCHEMBL28308488 | 0.82 | CYP2C9 (0.40) | KMT2AMEN1HSD11B1LMNATSHR | |
| SCHEMBL28308491 | 0.82 | KDM1A (0.38) | KMT2AMEN1LDHA | |
| SCHEMBL28307707 | 0.82 | KDM1A (0.38) | KMT2AMEN1FFAR1HSD11B1 | |
| SCHEMBL28308486 | 0.81 | MEN1 (0.44) | KMT2AMEN1FFAR1LMNATSHR | |
| SCHEMBL11520481 | 0.80 | MEN1 (0.45) | KMT2AMEN1RAB9ALDHALMNA | |
| SCHEMBL28308513 | 0.80 | CYP3A4 (0.34) | SMN1; SMN2KDM4E | |
| Bicarbonate SCHEMBL10974641 | 0.71 | MEN1 (0.50) | KMT2AMEN1RAB9ALMNATSHR | |
| SCHEMBL31414038 | 0.70 | MEN1 (0.49) | KMT2AMEN1RAB9ALMNATSHR | |
| SCHEMBL7070199 | 0.69 | KMT2A (0.45) | KMT2AMEN1RAB9AHSD11B1LMNA |
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 |