Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 2/20 | 0.36 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.36 |
| ▸ | KDR | P35968 | 1/20 | 0.36 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.36 |
| ▸ | ABL1 | P00519 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | TGFBR1 | P36897 | 6/20 | 0.35 |
| ▸ | BRS3 | P32247 | 1/20 | 0.35 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.35 |
| ▸ | CNR2 | P34972 | 1/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.34 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL21937205 | 0.92 | CNR2 (0.34) | ABL1CNR2 | |
| SCHEMBL21937077 | 0.89 | FLT3 (0.35) | PDK2KDRCHEK2CYP2A6TGFBR1 | |
| SCHEMBL21937001 | 0.83 | CHEK2 (0.39) | PDK2KDRCHEK2CYP2A6TGFBR1 | |
| SCHEMBL21125566 | 0.80 | CYP2A6 (0.46) | PDK2KDRCHEK2CYP2A6TGFBR1 | |
| SCHEMBL19794394 | 0.80 | KDM4E (0.52) | PDK2CHEK2CYP2A6TGFBR1CYP1A2 | |
| SCHEMBL21125828 | 0.78 | CHEK2 (0.49) | PDK2KDRCHEK2CYP2A6TGFBR1 | |
| SCHEMBL16905588 | 0.78 | CNR2 (0.41) | CNR2 | |
| SCHEMBL16905564 | 0.78 | CNR2 (0.43) | CNR2 | |
| SCHEMBL20068613 | 0.77 | CHEK2 (0.48) | PDK2KDRCHEK2CYP2A6TGFBR1 | |
| SCHEMBL25070279 | 0.76 | TGFBR1 (0.49) | PDK2KDRCYP2A6TGFBR1CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020064662-A2 | METHOD FOR PRODUCING STERICALLY HINDERED, NITROGEN-CONTAINING HETEROAROMATIC COMPOUNDS | MERCK PATENT GMBH (DE) | 2020-04-02 | — | — | WO | disclosed |