Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 4/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.41 |
| ▸ | DRD3 | P35462 | 2/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.41 |
| ▸ | LMNA | P02545 | 4/20 | 0.41 |
| ▸ | SCN1A | P35498 | 3/20 | 0.41 |
| ▸ | SCN2A | Q99250 | 3/20 | 0.41 |
| ▸ | SCN3A | Q9NY46 | 3/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | MTOR | P42345 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL21269871 | 0.98 | CYP2C19 (0.42) | CYP2C19HIF1AOPRM1DRD3DRD2 | |
| SCHEMBL21269261 | 0.98 | CYP2C19 (0.42) | CYP2C19HIF1AOPRM1DRD3DRD2 | |
| SCHEMBL28315629 | 0.96 | CYP2C19 (0.41) | CYP2C19HIF1AOPRM1DRD3DRD2 | |
| SCHEMBL28316454 | 0.96 | CYP2C19 (0.41) | CYP2C19HIF1AOPRM1DRD3DRD2 | |
| SCHEMBL27263782 | 0.96 | CYP2C19 (0.44) | CYP2C19HIF1AOPRM1DRD3DRD2 | |
| SCHEMBL21269765 | 0.94 | CYP2C19 (0.42) | CYP2C19HIF1AOPRM1DRD3DRD2 | |
| SCHEMBL28315671 | 0.94 | CYP2C19 (0.42) | CYP2C19HIF1AOPRM1DRD3DRD2 | |
| SCHEMBL28314717 | 0.94 | CYP2C19 (0.42) | CYP2C19HIF1AOPRM1DRD3DRD2 | |
| SCHEMBL28315931 | 0.94 | CYP2C19 (0.42) | CYP2C19HIF1AOPRM1DRD3DRD2 | |
| SCHEMBL28315885 | 0.89 | KIF11 (0.46) | CYP2C19HIF1AOPRM1DRD3DRD2 |
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 2 patents. 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 | claimed |
| 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 |