Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 5/20 | 0.48 |
| ▸ | CES2 | O00748 | 3/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | MLYCD | O95822 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | DAO | P14920 | 1/20 | 0.35 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.33 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.33 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28271260 | 0.84 | CES1 (0.46) | CES1CES2ATMMLYCDALDH1A1 | |
| SCHEMBL562773 | 0.79 | CES1 (0.52) | CES1CES2MLYCDALDH1A1TSHR | |
| SCHEMBL9056053 | 0.78 | CES1 (0.50) | CES1CES2ATMALDH1A1TSHR | |
| SCHEMBL23698003 | 0.78 | CES1 (0.50) | CES1CES2ATMALDH1A1TSHR | |
| SCHEMBL8461140 | 0.78 | CES1 (0.50) | CES1CES2ATMMLYCDALDH1A1 | |
| SCHEMBL19262432 | 0.77 | CES1 (0.41) | CES1CES2ATMMLYCDALDH1A1 | |
| SCHEMBL9044166 | 0.75 | CES1 (0.52) | CES1CES2MLYCDALDH1A1TSHR | |
| SCHEMBL4783569 | 0.73 | CES1 (0.56) | CES1CES2ALDH1A1TSHRDAO | |
| SCHEMBL6913643 | 0.73 | CES1 (0.45) | CES1CES2ATMMLYCDALDH1A1 | |
| SCHEMBL28830743 | 0.71 | CES1 (0.54) | CES1CES2MLYCDALDH1A1TSHR |
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-111542526-A | Condensed imidazole derivatives substituted by tertiary hydroxyl group as PI 3K-gamma inhibitor | 因赛特公司 | 2020-08-14 | — | — | CN | disclosed |