Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABL1 | P00519 | 1/20 | 0.47 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.43 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | MTOR | P42345 | 1/20 | 0.42 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.42 |
| ▸ | MELK | Q14680 | 1/20 | 0.41 |
| ▸ | GSK3A | P49840 | 1/20 | 0.41 |
| ▸ | GSK3B | P49841 | 1/20 | 0.41 |
| ▸ | FASN | P49327 | 2/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 3/20 | 0.41 |
| ▸ | MCHR1 | Q99705 | 3/20 | 0.41 |
| ▸ | MAP3K11 | Q16584 | 1/20 | 0.41 |
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.40 |
| ▸ | PDE4A | P27815 | 1/20 | 0.40 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.40 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL19391086 | 0.88 | ABL1 (0.48) | ABL1S1PR1KCNH2CHRNA7MTOR | |
| SCHEMBL18924538 | 0.86 | FASN (0.50) | ABL1S1PR1KCNH2CHRNA7NPC1 | |
| SCHEMBL19391081 | 0.84 | ABL1 (0.45) | ABL1S1PR1KCNH2CHRNA7NPC1 | |
| SCHEMBL18924475 | 0.83 | FASN (0.47) | ABL1KCNH2CHRNA7IRAK4MELK | |
| SCHEMBL18924393 | 0.83 | FASN (0.51) | ABL1KCNH2CHRNA7NPC1RAB9A | |
| SCHEMBL18752725 | 0.81 | CHRNA7 (0.39) | ABL1KCNH2CHRNA7NPC1MTOR | |
| SCHEMBL16323798 | 0.81 | FASN (0.66) | ABL1IRAK4FASN | |
| SCHEMBL18924350 | 0.81 | FASN (0.44) | ABL1S1PR1NPC1IRAK4MELK | |
| SCHEMBL18924459 | 0.80 | FASN (0.56) | ABL1NPC1IRAK4MELKGSK3A | |
| SCHEMBL10762514 | 0.78 | RAB9A (0.52) | NPC1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| US-9670142-B2 | 1,3-diaminocyclopentane carboxamide derivatives | MERCK PATENT GMBH (DE) | 2017-06-06 | — | — | US | disclosed |