Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | GSK3B | P49841 | 3/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | MPI | P34949 | 1/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.46 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.46 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.46 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.46 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.46 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 5/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL70282 | 0.85 | MAPK1 (0.54) | ALDH1A1MAPK1GSK3BKMT2AKDM4E | |
| SCHEMBL29533518 | 0.85 | MAPK1 (0.54) | ALDH1A1MAPK1GSK3BKMT2AKDM4E | |
| SCHEMBL7265238 | 0.83 | ALDH1A1 (0.49) | ALDH1A1MAPK1KMT2ALMNARAB9A | |
| SCHEMBL6202500 | 0.83 | L3MBTL1 (0.59) | ALDH1A1MAPK1GSK3BKMT2AKDM4E | |
| SCHEMBL8026821 | 0.79 | GSK3B (0.48) | ALDH1A1MAPK1GSK3BKMT2ALMNA | |
| SCHEMBL3282677 | 0.79 | ALDH1A1 (0.53) | ALDH1A1MAPK1GSK3BKMT2ALMNA | |
| SCHEMBL27917765 | 0.79 | ALDH1A1 (0.51) | ALDH1A1MAPK1GSK3BKMT2ALMNA | |
| SCHEMBL11146926 | 0.79 | GSK3B (0.48) | ALDH1A1MAPK1GSK3BKMT2ALMNA | |
| SCHEMBL27892309 | 0.78 | AKR1C3 (0.57) | ALDH1A1MAPK1GSK3BLMNATSHR | |
| SCHEMBL11146921 | 0.78 | HDAC3 (0.49) | ALDH1A1GSK3BKMT2ALMNAHDAC3 |
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-105481794-A | Organic white light material with thermal activation delay and aggregation-induced emission performance and synthetic method and application thereof | UNIV SUN YAT SEN | 2016-04-13 | — | — | CN | claimed |
| CN-105481794-A | Organic white light material with thermal activation delay and aggregation-induced emission performance and synthetic method and application thereof | UNIV SUN YAT SEN | 2016-04-13 | — | — | CN | disclosed |