Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.57 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | KIF11 | P52732 | 1/20 | 0.41 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.39 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL21268837 | 0.96 | CYP2D6 (0.57) | CYP2D6CYP1A2HIF1ACYP2C19MAPT | |
| SCHEMBL21269485 | 0.96 | CYP2D6 (0.57) | CYP2D6CYP1A2HIF1ACYP2C19MAPT | |
| SCHEMBL21269904 | 0.96 | CYP2D6 (0.57) | CYP2D6CYP1A2HIF1ACYP2C19MAPT | |
| SCHEMBL28875712 | 0.96 | CYP2D6 (0.57) | CYP2D6CYP1A2HIF1ACYP2C19MAPT | |
| SCHEMBL28314311 | 0.96 | CYP2D6 (0.57) | CYP2D6CYP1A2HIF1ACYP2C19MAPT | |
| SCHEMBL28314579 | 0.94 | CYP2D6 (0.55) | CYP2D6CYP1A2HIF1ACYP2C19MAPT | |
| SCHEMBL28315689 | 0.94 | CYP2D6 (0.55) | CYP2D6CYP1A2HIF1ACYP2C19MAPT | |
| SCHEMBL28315929 | 0.94 | CYP2D6 (0.55) | CYP2D6CYP1A2HIF1ACYP2C19MAPT | |
| SCHEMBL21268836 | 0.81 | CYP1A2 (0.50) | CYP2D6CYP1A2HIF1ACYP2C19MAPT | |
| Lithium Ion SCHEMBL21269484 | 0.81 | CYP1A2 (0.50) | CYP2D6CYP1A2HIF1ACYP2C19MAPT |
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 |