Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | KIF11 | P52732 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
| ▸ | KCNN4 | O15554 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL21269854 | 0.98 | CYP2C19 (0.45) | CYP2C19HIF1ACYP1A2CYP2D6KMT2A | |
| SCHEMBL21268799 | 0.98 | CYP2C19 (0.45) | CYP2C19HIF1ACYP1A2CYP2D6KMT2A | |
| SCHEMBL28314612 | 0.96 | CYP2C19 (0.44) | CYP2C19HIF1ACYP1A2CYP2D6KMT2A | |
| SCHEMBL28314315 | 0.96 | CYP2C19 (0.44) | CYP2C19HIF1ACYP1A2CYP2D6KMT2A | |
| SCHEMBL2291949 | 0.96 | CYP2C19 (0.47) | CYP2C19HIF1ACYP1A2CYP2D6KMT2A | |
| SCHEMBL21269982 | 0.94 | CYP2C19 (0.45) | CYP2C19HIF1ACYP1A2CYP2D6KMT2A | |
| SCHEMBL28314575 | 0.94 | CYP2C19 (0.45) | CYP2C19HIF1ACYP1A2CYP2D6KMT2A | |
| SCHEMBL28316424 | 0.94 | CYP2C19 (0.45) | CYP2C19HIF1ACYP1A2CYP2D6KMT2A | |
| SCHEMBL28875698 | 0.94 | CYP2C19 (0.45) | CYP2C19HIF1ACYP1A2CYP2D6KMT2A | |
| SCHEMBL3693702 | 0.86 | CYP2C19 (0.42) | CYP2C19HIF1ACYP1A2CYP2D6KMT2A |
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-110172019-A | The metal salt of malonic acid as the nucleating additive for crystalline thermoplastic | 印度石油有限公司 | 2019-08-27 | — | — | CN | disclosed |