Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | HMGCR | P04035 | 1/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.41 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.41 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.35 |
| ▸ | CPT2 | P23786 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | ACLY | P53396 | 2/20 | 0.30 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5558695 | 0.85 | HMGCR (0.39) | CYP2C19HIF1ATSHRCYP2D6HMGCR | |
| SCHEMBL8129588 | 0.83 | HMGCR (0.38) | CYP2C19HIF1ATSHRCYP2D6HMGCR | |
| SCHEMBL28306696 | 0.78 | CYP2C19 (0.44) | CYP2C19HIF1ATSHRCYP2D6HMGCR | |
| SCHEMBL6948226 | 0.77 | HMGCR (0.44) | CYP2C19HIF1ATSHRCYP2D6HMGCR | |
| SCHEMBL1544749 | 0.77 | HMGCR (0.44) | CYP2C19HIF1ATSHRCYP2D6HMGCR | |
| SCHEMBL31462329 | 0.77 | DGAT1 (0.39) | DGAT1ALDH1A1LMNAMEN1GAA | |
| SCHEMBL18196451 | 0.76 | ALDH1A1 (0.48) | CYP2C19HIF1ATSHRCYP2D6HMGCR | |
| SCHEMBL8543614 | 0.75 | HIF1A (0.41) | CYP2C19HIF1ATSHRCYP2D6HMGCR | |
| SCHEMBL27517583 | 0.75 | HIF1A (0.41) | CYP2C19HIF1ATSHRCYP2D6HMGCR | |
| SCHEMBL8466854 | 0.74 | HMGCR (0.41) | CYP2C19HIF1ATSHRCYP2D6HMGCR |
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-117550943-A | Based on CO 2 Method for participating in controllable synthesis of polycarboxylic acid compounds | 四川大学 | 2024-02-13 | — | — | CN | disclosed |