Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 5/20 | 0.55 |
| ▸ | TNNI3K | Q59H18 | 3/20 | 0.55 |
| ▸ | PIP4K2A | P48426 | 4/20 | 0.46 |
| ▸ | PIP4K2B | P78356 | 4/20 | 0.46 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.44 |
| ▸ | ERBB3 | P21860 | 1/20 | 0.44 |
| ▸ | LCK | P06239 | 3/20 | 0.43 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.43 |
| ▸ | TUBB | P07437 | 1/20 | 0.43 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.43 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.43 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.43 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.43 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.43 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.43 |
| ▸ | TUBB8 | Q3ZCM7 | 1/20 | 0.43 |
| ▸ | TUBA3E | Q6PEY2 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL690944 | 0.88 | EGFR (0.61) | EGFRTNNI3KPIP4K2APIP4K2BBTK | |
| SCHEMBL691467 | 0.86 | EGFR (0.47) | EGFRTNNI3KPIP4K2APIP4K2BSCN9A | |
| SCHEMBL413659 | 0.85 | TNNI3K (0.54) | EGFRTNNI3KCYP1A2CYP2C9CLK4 | |
| SCHEMBL2778932 | 0.81 | EGFR (0.53) | EGFRTNNI3KCYP1A2CYP2C9CLK4 | |
| SCHEMBL690055 | 0.77 | EGFR (0.53) | EGFRTNNI3KCYP1A2CYP2C9CLK4 | |
| SCHEMBL1243031 | 0.76 | EGFR (0.51) | EGFRERBB3TUBB4ATUBBTUBA3C | |
| SCHEMBL13777940 | 0.75 | EGFR (0.74) | EGFRLCKTUBB4ATUBBTUBA3C | |
| SCHEMBL17856981 | 0.73 | FGFR4 (0.62) | EGFRPIP4K2APIP4K2BLCKBTK | |
| SCHEMBL13777945 | 0.73 | EGFR (0.74) | EGFRLCKTUBB4ATUBBTUBA3C | |
| SCHEMBL11317380 | 0.72 | MEN1 (0.55) | EGFRTNNI3KCYP1A2CYP2C9CLK4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2421538-A1 | HETEROARYL COMPOUNDS AND USES THEREOF | Avila Therapeutics, Inc. (US) | 2012-02-29 | — | — | EP | disclosed |
| WO-2010123870-A1 | HETEROARYL COMPOUNDS AND USES THEREOF | AVILA THERAPEUTICS, INC. (US) | 2010-10-28 | — | — | WO | disclosed |