Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TGFBR1 | P36897 | 3/20 | 0.43 |
| ▸ | FBP1 | P09467 | 2/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | XBP1 | P17861 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | EGFR | P00533 | 1/20 | 0.34 |
| ▸ | MYC | P01106 | 1/20 | 0.34 |
| ▸ | WDR5 | P61964 | 1/20 | 0.34 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.33 |
| ▸ | TGFBR2 | P37173 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6134033 | 0.86 | TGFBR1 (0.48) | TGFBR1FBP1ADORA2AADORA1KDM4E | |
| SCHEMBL28640612 | 0.82 | ADORA2A (0.47) | TGFBR1FBP1ADORA2AADORA1KDM4E | |
| SCHEMBL6134226 | 0.75 | ALDH1A1 (0.51) | TGFBR1FBP1KDM4EMAPTLMNA | |
| SCHEMBL6133824 | 0.74 | MAPT (0.39) | TGFBR1FBP1ADORA2AADORA1KDM4E | |
| Bromide SCHEMBL6133333 | 0.74 | ALDH1A1 (0.50) | TGFBR1FBP1KDM4EMAPTLMNA | |
| SCHEMBL6134790 | 0.74 | TGFBR1 (0.41) | TGFBR1ADORA2AADORA1KDM4ESMN1; SMN2 | |
| SCHEMBL28647146 | 0.72 | TGFBR1 (0.47) | TGFBR1FBP1ADORA2AADORA1KDM4E | |
| SCHEMBL6133930 | 0.72 | RET (0.42) | TGFBR1ADORA2AADORA1KDM4ETGFBR2 | |
| SCHEMBL28646803 | 0.72 | ADORA2A (0.61) | TGFBR1FBP1ADORA2AADORA1KDM4E | |
| SCHEMBL6133042 | 0.71 | ALDH1A1 (0.46) | FBP1KDM4EMAPTLMNAMAPK1 |
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-109293652-B | Substituted thiazole derivative and application thereof | 四川科伦博泰生物医药股份有限公司 | 2021-10-22 | — | — | CN | disclosed |