Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.43 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.39 |
| ▸ | ABL1 | P00519 | 1/20 | 0.39 |
| ▸ | EGFR | P00533 | 1/20 | 0.39 |
| ▸ | HCK | P08631 | 1/20 | 0.39 |
| ▸ | SRC | P12931 | 1/20 | 0.39 |
| ▸ | KDR | P35968 | 1/20 | 0.39 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.39 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.39 |
| ▸ | MTOR | P42345 | 1/20 | 0.39 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.39 |
| ▸ | EPHB4 | P54760 | 1/20 | 0.39 |
| ▸ | PRKDC | P78527 | 1/20 | 0.39 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.39 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28612774 | 0.86 | TUBB4A (0.49) | MAPK14SRCKDRTUBB4ATUBB | |
| SCHEMBL28616407 | 0.85 | RIPK2 (0.44) | CYP1A1CYP1A2CYP1B1CA1CA2 | |
| SCHEMBL28624086 | 0.83 | SRC (0.53) | CYP1A1CYP1A2CYP1B1SRCKDR | |
| SCHEMBL28614006 | 0.82 | BRAF (0.54) | CYP1A1CYP1A2CYP1B1MAPK14EGFR | |
| SCHEMBL28627247 | 0.81 | TUBB4A (0.48) | MAPK14PIK3CDABL1EGFRHCK | |
| SCHEMBL28921643 | 0.81 | PAX8 (0.47) | MAPK14TUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL20821458 | 0.73 | CYP1A1 (0.62) | CYP1A1CYP1A2CYP1B1CA1CA2 | |
| SCHEMBL28234764 | 0.73 | PIK3CD (0.42) | PIK3CDABL1EGFRHCKSRC | |
| SCHEMBL28631644 | 0.73 | CHEK1 (0.38) | PIK3CDABL1EGFRHCKSRC | |
| SCHEMBL28616736 | 0.72 | SRC (0.60) | SRCKDRTUBB4ATUBBTUBA3C |
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-108409663-B | Microtubule inhibitors, methods of preparation and uses thereof | 成都威斯克生物医药有限公司 | 2021-09-03 | — | — | CN | disclosed |