Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | MEN1 | O00255 | 4/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.49 |
| ▸ | GAA | P10253 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.43 |
| ▸ | FEN1 | P39748 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.42 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL17502108 | 0.87 | KMT2A (0.50) | MEN1KMT2AGAASMN1; SMN2ALDH1A1 | |
| SCHEMBL15848161 | 0.84 | TSHR (0.66) | TSHRCYP3A4CYP2C9CYP2C19MEN1 | |
| SCHEMBL31565676 | 0.83 | TSHR (0.62) | TSHRCYP3A4CYP2C9CYP2C19MEN1 | |
| SCHEMBL28185881 | 0.79 | TSHR (0.50) | TSHRCYP3A4CYP2C9CYP2C19MEN1 | |
| SCHEMBL5818539 | 0.78 | SMN1; SMN2 (0.53) | TSHRCYP3A4CYP2C9CYP2C19MEN1 | |
| SCHEMBL17593030 | 0.77 | BCAT2 (0.49) | TSHRALDH1A1KEAP1NFE2L2 | |
| SCHEMBL16102708 | 0.76 | EDNRA (0.48) | KEAP1NFE2L2 | |
| SCHEMBL5069997 | 0.75 | TSHR (0.65) | TSHRCYP3A4CYP2C9CYP2C19MEN1 | |
| Hydrochloric Acid SCHEMBL27966291 | 0.74 | NPC1 (0.68) | TSHRMEN1KMT2AGAASMN1; SMN2 | |
| SCHEMBL28160428 | 0.73 | KMT2A (0.61) | TSHRCYP3A4CYP2C9CYP2C19MEN1 |
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-104352492-B | Extend enzyme inhibitor using arylsulfonyl derivatives as the long chain fatty acids of active ingredient | MSD K.K.公司 | 2017-12-05 | — | — | CN | disclosed |