Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 3/20 | 0.62 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.62 |
| ▸ | NPC1 | O15118 | 2/20 | 0.62 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.61 |
| ▸ | HPGD | P15428 | 1/20 | 0.61 |
| ▸ | KEAP1 | Q14145 | 3/20 | 0.60 |
| ▸ | NFE2L2 | Q16236 | 3/20 | 0.60 |
| ▸ | GPR183 | P32249 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.52 |
| ▸ | ITGAL | P20701 | 5/20 | 0.51 |
| ▸ | ITGB2 | P05107 | 4/20 | 0.51 |
| ▸ | ICAM1 | P05362 | 4/20 | 0.51 |
| ▸ | MAOB | P27338 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL28510329 | 1.00 | RAB9A (0.62) | RAB9AKDM4ENPC1NFKB1HPGD | |
| SCHEMBL30738463 | 0.92 | KEAP1 (0.55) | RAB9AKDM4ENPC1NFKB1HPGD | |
| SCHEMBL28905813 | 0.90 | NFKB1 (0.71) | NFKB1HPGDKEAP1NFE2L2GPR183 | |
| SCHEMBL30584144 | 0.80 | NFKB1 (0.56) | NFKB1KEAP1NFE2L2GPR183MAOB | |
| SCHEMBL7572398 | 0.79 | RAB9A (0.67) | RAB9AKDM4ENPC1HPGDALDH1A1 | |
| SCHEMBL15675380 | 0.79 | RAB9A (0.67) | RAB9AKDM4ENPC1HPGDALDH1A1 | |
| SCHEMBL7572404 | 0.79 | RAB9A (0.67) | RAB9AKDM4ENPC1HPGDALDH1A1 | |
| SCHEMBL15675379 | 0.79 | RAB9A (0.67) | RAB9AKDM4ENPC1HPGDALDH1A1 | |
| SCHEMBL16599160 | 0.78 | GPR183 (0.84) | KDM4ENFKB1GPR183ALDH1A1L3MBTL1 | |
| SCHEMBL16599162 | 0.78 | GPR183 (0.84) | KDM4ENFKB1GPR183ALDH1A1L3MBTL1 |
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-112204018-A | Acrylic acid compounds, preparation method thereof, pharmaceutical composition and application | 中国科学院上海药物研究所 | 2021-01-08 | — | — | CN | disclosed |