Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 4/20 | 0.46 |
| ▸ | SRC | P12931 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 4/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | PARP1 | P09874 | 1/20 | 0.45 |
| ▸ | RECQL | P46063 | 1/20 | 0.45 |
| ▸ | BLM | P54132 | 1/20 | 0.45 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | TNF | P01375 | 1/20 | 0.41 |
| ▸ | KLF5 | Q13887 | 1/20 | 0.41 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.41 |
| ▸ | F2 | P00734 | 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 | |
|---|---|---|---|---|
| SCHEMBL18203138 | 0.85 | CES1 (0.46) | CES1SRCTSHRCYP2C19TDP1 | |
| SCHEMBL16576962 | 0.82 | TDP1 (0.53) | CES1SRCTSHRCYP2C19TDP1 | |
| SCHEMBL16576958 | 0.82 | CES1 (0.47) | CES1SRCTSHRCYP2C19TDP1 | |
| SCHEMBL13302916 | 0.81 | CES1 (0.50) | CES1SRCTSHRCYP2C19TDP1 | |
| SCHEMBL2033994 | 0.79 | CES1 (0.52) | CES1SRCTSHRCYP2C19TDP1 | |
| SCHEMBL15697697 | 0.78 | SRC (0.47) | CES1SRCTSHRTDP1MAPT | |
| SCHEMBL10090157 | 0.78 | CES1 (0.60) | CES1SRCTSHRTDP1MAPT | |
| Benzamide SCHEMBL5320681 | 0.77 | PARP1 (0.61) | TSHRCYP2C19TDP1MAPTHSD17B10 | |
| Benzoic Acid SCHEMBL999801 | 0.77 | TSHR (0.54) | CES1TSHRCYP2C19TDP1MAPT | |
| SCHEMBL2847525 | 0.77 | ELANE (0.49) | CES1SRCTSHRCYP2C19TDP1 |
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-116478022-A | Preparation method of alkynylamide-mediated ketone compound | 广州医科大学 | 2023-07-25 | — | — | CN | disclosed |