Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FLT3 | P36888 | 1/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.35 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.35 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.35 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.35 |
| ▸ | KDR | P35968 | 1/20 | 0.34 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.34 |
| ▸ | TGFBR1 | P36897 | 9/20 | 0.33 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.32 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL21937079 | 0.89 | PDK2 (0.36) | KDRCHEK2TGFBR1PDK2CYP2A6 | |
| SCHEMBL21937205 | 0.80 | CNR2 (0.34) | CNR2 | |
| SCHEMBL21937074 | 0.80 | NPC1 (0.39) | FLT3CHRNB2CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL21125566 | 0.80 | CYP2A6 (0.46) | KDRCHEK2TGFBR1PDK2CYP2A6 | |
| SCHEMBL21937001 | 0.80 | CHEK2 (0.39) | KDRCHEK2TGFBR1PDK2CYP2A6 | |
| SCHEMBL16904293 | 0.77 | CHRNB2 (0.41) | FLT3CHRNB2CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL19794376 | 0.77 | HSD17B1 (0.40) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL23956040 | 0.77 | HSD17B1 (0.40) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL19794394 | 0.77 | KDM4E (0.52) | CHEK2TGFBR1PDK2CYP2A6MAPK14 | |
| SCHEMBL21125575 | 0.76 | HSD17B1 (0.42) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 |
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 |