Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.36 |
| ▸ | TGFBR1 | P36897 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.33 |
| ▸ | FEN1 | P39748 | 1/20 | 0.33 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Quinoline SCHEMBL5260404 | 0.85 | ALDH1A1 (0.61) | ALDH1A1KDM4EALOX12MAPTSMN1; SMN2 | |
| Quinoxaline SCHEMBL4270011 | 0.84 | ALDH1A1 (0.44) | ALDH1A1KDM4EL3MBTL1ALOX12MAPT | |
| Quinoline SCHEMBL28462226 | 0.83 | ALDH1A1 (0.59) | ALDH1A1KDM4EALOX12MAPTSMN1; SMN2 | |
| Quinoline SCHEMBL28462227 | 0.83 | ALDH1A1 (0.59) | ALDH1A1KDM4EALOX12MAPTSMN1; SMN2 | |
| Phenazine SCHEMBL30542151 | 0.83 | MAPT (0.50) | ALDH1A1KDM4EPTPN1L3MBTL1MAPT | |
| Quinoxaline SCHEMBL14717879 | 0.78 | ALDH1A1 (0.39) | ALDH1A1KDM4EL3MBTL1MAPTSMN1; SMN2 | |
| Dipyridyl SCHEMBL15796588 | 0.78 | KDM4E (0.56) | ALDH1A1KDM4EL3MBTL1MAPTSMN1; SMN2 | |
| Quinoxaline SCHEMBL28035806 | 0.77 | ALDH1A1 (0.45) | ALDH1A1TGFBR1L3MBTL1MAPTHDAC1 | |
| Trifluoromethanesulfonic Acid SCHEMBL9026926 | 0.76 | KDM4E (0.41) | ALDH1A1KDM4EPTPN1L3MBTL1ALOX12 | |
| Acridine SCHEMBL3252417 | 0.76 | ALDH1A1 (0.58) | ALDH1A1KDM4EPTPN1MAPTSMN1; 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-105683182-A | Biaryl acetamide compounds and methods of use thereof | 埃姆比特生物科学公司 | 2016-06-15 | — | — | CN | disclosed |