Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR2 | O15552 | 7/20 | 0.47 |
| ▸ | BRD4 | O60885 | 1/20 | 0.44 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.44 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.44 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | APEX1 | P27695 | 1/20 | 0.42 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | GABBR2 | O75899 | 3/20 | 0.39 |
| ▸ | GABBR1 | Q9UBS5 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | CNR1 | P21554 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL30943794 | 0.80 | HDAC3 (0.45) | HDAC4HDAC7HDAC5CES2CES1 | |
| SCHEMBL3688149 | 0.78 | TSHR (0.50) | BRD4HDAC4HDAC7HDAC5TSHR | |
| SCHEMBL31359586 | 0.74 | ALDH1A1 (0.44) | TSHRLMNACYP2C9CYP2C19KMT2A | |
| SCHEMBL11287246 | 0.72 | HDAC4 (0.61) | FFAR2BRD4HDAC4HDAC7HDAC5 | |
| SCHEMBL10931337 | 0.71 | CYP2C9 (0.59) | BRD4HDAC4HDAC7HDAC5TSHR | |
| SCHEMBL10931330 | 0.71 | CYP2C9 (0.59) | BRD4HDAC4HDAC7HDAC5TSHR | |
| SCHEMBL21835512 | 0.71 | CYP2C9 (0.59) | BRD4HDAC4HDAC7HDAC5TSHR | |
| SCHEMBL7981718 | 0.71 | POLB (0.46) | FFAR2BRD4HDAC4HDAC7HDAC5 | |
| SCHEMBL3741608 | 0.71 | POLB (0.46) | FFAR2BRD4HDAC4HDAC7HDAC5 | |
| SCHEMBL6874895 | 0.70 | SLC6A2 (0.59) | TSHRALOX15LMNACYP2C9CYP3A4 |
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-A | A method of polysubstituted pyrrole compound is synthesized using alpha-alcohol ketone, malononitrile and alcohol | UNIV SOUTH CHINA TECH | 2019-11-15 | — | — | CN | disclosed |