Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.45 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.45 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.45 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.45 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.45 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.45 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.45 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.45 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL3726386 | 0.98 | CYP1A2 (0.54) | CYP1A2MAPTKMT2ACYP2C19HIF1A | |
| SCHEMBL28727502 | 0.95 | CYP1A2 (0.52) | CYP1A2MAPTKMT2ACYP2C19HIF1A | |
| SCHEMBL5012477 | 0.82 | MAPT (0.48) | CYP1A2MAPTKMT2ACYP2C19HIF1A | |
| SCHEMBL1894263 | 0.80 | CYP1A2 (0.56) | CYP1A2MAPTKMT2ACYP2C19HIF1A | |
| SCHEMBL13447969 | 0.80 | MAPT (0.47) | CYP1A2MAPTKMT2ACYP2C19HIF1A | |
| SCHEMBL7044103 | 0.80 | ESR1 (0.50) | ALDH1A1ESR1ESR2CYP3A4TSHR | |
| SCHEMBL2308306 | 0.80 | MAPT (0.47) | CYP1A2MAPTKMT2ACYP2C19HIF1A | |
| SCHEMBL7037031 | 0.78 | MEN1 (0.46) | MAPTKMT2AHDAC3HDAC1HDAC2 | |
| SCHEMBL6349689 | 0.78 | KMT2A (0.50) | CYP1A2MAPTKMT2ACYP2C19HIF1A | |
| Potassium Ion SCHEMBL28727484 | 0.78 | KMT2A (0.45) | CYP1A2MAPTKMT2ACYP2C19HIF1A |
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-B | Metal salts of malonic acid as nucleating additives for crystalline thermoplastics | 印度石油有限公司 | 2022-03-04 | — | — | CN | disclosed |