Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.59 |
| ▸ | PARP1 | P09874 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | HTR7 | P34969 | 1/20 | 0.41 |
| ▸ | HTR6 | P50406 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.40 |
| ▸ | AXL | P30530 | 1/20 | 0.40 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 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 | |
|---|---|---|---|---|
| 3-Chloroaniline SCHEMBL28180221 | 0.91 | ALDH1A1 (0.71) | ALDH1A1TDP1MEN1KMT2ASMN1; SMN2 | |
| 4-Chloroaniline SCHEMBL28295247 | 0.80 | KMT2A (0.42) | ALDH1A1MEN1KMT2ASMN1; SMN2ALOX15 | |
| 3-Chloroaniline SCHEMBL7834114 | 0.80 | ALDH1A1 (0.71) | ALDH1A1PARP1TDP1MEN1KMT2A | |
| 3-Chloroaniline SCHEMBL5189307 | 0.77 | ALDH1A1 (1.00) | ALDH1A1PARP1TDP1SMN1; SMN2ALOX15 | |
| 3-Chloroaniline SCHEMBL33289 | 0.77 | — | — | |
| 3-Chloroaniline SCHEMBL11872875 | 0.77 | ALDH1A1 (0.65) | ALDH1A1PARP1TDP1MEN1KMT2A | |
| 3-Chloroaniline SCHEMBL11482907 | 0.75 | ALDH1A1 (0.77) | ALDH1A1PARP1TDP1MEN1KMT2A | |
| 3-Chloroaniline SCHEMBL357404 | 0.74 | — | — | |
| 3-Chloroaniline SCHEMBL2435038 | 0.74 | — | — | |
| Urea SCHEMBL29193198 | 0.74 | PARP1 (0.67) | ALDH1A1PARP1MEN1KMT2ASMN1; SMN2 |
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-107216411-B | One kind quaternary ammonium salt of Acetylated Chitosans containing ureas and its preparation method and application | 中国科学院烟台海岸带研究所 | 2019-06-11 | — | — | CN | disclosed |