Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.46 |
| ▸ | CES1 | P23141 | 2/20 | 0.46 |
| ▸ | IDO1 | P14902 | 1/20 | 0.45 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.43 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.43 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.43 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.42 |
| ▸ | KCNQ3 | O43525 | 5/20 | 0.41 |
| ▸ | KCNQ2 | O43526 | 5/20 | 0.41 |
| ▸ | KCNQ5 | Q9NR82 | 1/20 | 0.41 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.40 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.40 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.40 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.40 |
| ▸ | CHRNG | P07510 | 1/20 | 0.40 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.40 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL31079886 | 0.78 | HDAC1 (0.35) | CES2CES1 | |
| SCHEMBL23243226 | 0.78 | HDAC1 (0.35) | CES2CES1 | |
| SCHEMBL21504283 | 0.75 | TAS1R3 (0.49) | CES2CES1IDO1TAS1R3TAS1R1 | |
| SCHEMBL31079679 | 0.72 | HDAC4 (0.41) | CES2CES1ALDH1A1 | |
| SCHEMBL23777375 | 0.72 | GAA (0.35) | CES2CES1ALDH1A1NPC1LMNA | |
| SCHEMBL13146304 | 0.71 | MLYCD (0.54) | CES2CES1TAS1R3TAS1R1TAS1R2 | |
| SCHEMBL31079673 | 0.71 | MLYCD (0.54) | CES2CES1TAS1R3TAS1R1TAS1R2 | |
| SCHEMBL20147555 | 0.71 | PLD1 (0.46) | CES2CES1IDO1TAS1R3TAS1R1 | |
| SCHEMBL20069737 | 0.71 | MEN1 (0.54) | CES2CES1IDO1TAS1R3TAS1R1 | |
| SCHEMBL30929656 | 0.70 | HDAC6 (0.69) | CES2CES1KCNQ3KCNQ2KCNQ5 |
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-113227089-B | Substituted 6-azabenzimidazole compounds as HPK1 inhibitors | 吉利德科学公司 | 2024-07-05 | — | — | CN | disclosed |