Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CD44 | P16070 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | GRM6 | O15303 | 1/20 | 0.38 |
| ▸ | KDM1A | O60341 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | MAP2K2 | P36507 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1143074 | 1.00 | CD44 (0.50) | CD44CYP1A2CYP2C19CYP3A4TDP1 | |
| SCHEMBL1398115 | 0.83 | ALDH1A1 (0.43) | CD44CYP1A2CYP2C19CYP3A4TDP1 | |
| SCHEMBL102473 | 0.83 | CYP1A2 (0.59) | CYP1A2CYP2C19TSHRLMNAKDM4E | |
| SCHEMBL29993462 | 0.82 | LMNA (0.51) | CD44CYP1A2CYP2C19CYP3A4TDP1 | |
| SCHEMBL28349620 | 0.80 | CYP1A2 (0.57) | CYP1A2CYP2C19TSHRLMNAKDM4E | |
| Ethane SCHEMBL2154002 | 0.80 | CYP1A2 (0.57) | CYP1A2CYP2C19TSHRLMNAKDM4E | |
| Aniline SCHEMBL28030200 | 0.78 | CYP1A2 (0.47) | CYP1A2CYP2C19CYP3A4TDP1TSHR | |
| SCHEMBL9131363 | 0.78 | ALDH1A1 (0.57) | CD44CYP1A2CYP2C19CYP3A4TDP1 | |
| SCHEMBL6149952 | 0.77 | CD44 (0.50) | CD44CYP1A2CYP2C19CYP3A4TDP1 | |
| SCHEMBL1702636 | 0.74 | CYP3A4 (0.48) | CYP1A2CYP2C19CYP3A4TDP1TSHR |
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-118919857-A | Electrolyte for improving low-temperature performance and lithium ion battery | 合肥国轩高科动力能源有限公司 | 2024-11-08 | — | — | CN | disclosed |