Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.44 |
| ▸ | CES1 | P23141 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | APAF1 | O14727 | 1/20 | 0.42 |
| ▸ | RGS12 | O14924 | 1/20 | 0.42 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 5/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | PARP1 | P09874 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.41 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Benzamide SCHEMBL8383228 | 0.85 | CES2 (0.59) | CES2CES1MEN1KMT2ATSHR | |
| Benzamide SCHEMBL29088364 | 0.85 | PARP1 (0.57) | TSHRTDP1HSD17B10POLBCYP3A4 | |
| Octanoic Acid SCHEMBL28568630 | 0.83 | CES2 (0.60) | CES2CES1MEN1KMT2AAPAF1 | |
| Palmitic Acid SCHEMBL28888259 | 0.83 | CES2 (0.60) | CES2CES1MEN1KMT2AAPAF1 | |
| Stearic Acid SCHEMBL7759093 | 0.83 | CES2 (0.60) | CES2CES1MEN1KMT2AAPAF1 | |
| Heptanoate SCHEMBL29036106 | 0.83 | CES2 (0.60) | CES2CES1MEN1KMT2AAPAF1 | |
| Hexanoate SCHEMBL28604813 | 0.81 | AKR1B1 (0.46) | MEN1KMT2AAPAF1RGS12HSP90AA1 | |
| Benzamide SCHEMBL29027531 | 0.80 | TSHR (0.59) | CES2CES1MEN1KMT2AAPAF1 | |
| Stearic Acid SCHEMBL830592 | 0.78 | GPR84 (0.55) | CES2CES1MEN1KMT2ATSHR | |
| Benzamide SCHEMBL29088340 | 0.77 | PPARG (0.42) | CES2CES1MEN1KMT2AAPAF1 |
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-116472268-A | Compounds capable of binding to proteins and conjugates obtained from these compounds | MC SAF公司 | 2023-07-21 | — | — | CN | disclosed |