Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.60 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 4/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | GFER | P55789 | 1/20 | 0.43 |
| ▸ | YWHAG | P61981 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | ATM | Q13315 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | PARP1 | P09874 | 6/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | BTK | Q06187 | 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 | |
|---|---|---|---|---|
| SCHEMBL20587384 | 0.92 | NPC1 (0.71) | NPC1MEN1KMT2ALMNAHTT | |
| SCHEMBL28793930 | 0.87 | NPC1 (0.63) | NPC1MEN1KMT2ALMNAHTT | |
| SCHEMBL3436295 | 0.81 | NPC1 (0.51) | NPC1MEN1KMT2ALMNAMAPT | |
| SCHEMBL1742844 | 0.80 | ADRB1 (0.59) | NPC1HSD17B10TSHR | |
| SCHEMBL6105727 | 0.78 | NPC1 (0.54) | NPC1MEN1KMT2ALMNAHTT | |
| SCHEMBL2612163 | 0.78 | NPC1 (0.54) | NPC1MEN1KMT2ALMNAHTT | |
| SCHEMBL10854322 | 0.77 | NPC1 (0.50) | NPC1MEN1KMT2ALMNAHTT | |
| SCHEMBL5532619 | 0.76 | NPC1 (0.51) | NPC1MEN1KMT2ALMNAMAPT | |
| SCHEMBL605593 | 0.76 | NPC1 (1.00) | NPC1MEN1KMT2AHTTMAPT | |
| SCHEMBL3083169 | 0.76 | NPC1 (1.00) | NPC1MEN1KMT2AHTTMAPT |
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-108472617-A | Include the microcapsules of polyester-urethane shell and hydrophilic nuclear material | 巴斯夫欧洲公司 | 2018-08-31 | — | — | CN | disclosed |
| CN-108472616-A | Include the microcapsules of polyester-urethane shell and hydrophobic nuclear material | 巴斯夫欧洲公司 | 2018-08-31 | — | — | CN | disclosed |