Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.45 |
| ▸ | KCNB1 | Q14721 | 1/20 | 0.45 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 4/20 | 0.39 |
| ▸ | RAB9A | P51151 | 4/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | CASR | P41180 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.38 |
| ▸ | BCHE | P06276 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL29494303 | 0.94 | KCNB1 (0.41) | KCNH2KCNB1ADORA2AADORA1NPC1 | |
| SCHEMBL29494565 | 0.88 | KCNB1 (0.46) | KCNH2KCNB1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL29494503 | 0.86 | HDAC1 (0.44) | ADORA2AADORA1NPC1RAB9AHDAC1 | |
| SCHEMBL29494552 | 0.86 | ADORA2A (0.43) | KCNH2KCNB1ADORA2AADORA1NPC1 | |
| SCHEMBL29494549 | 0.83 | KLKB1 (0.49) | KCNH2KCNB1LMNAMAPTHPGD | |
| SCHEMBL29494528 | 0.77 | BLK (0.47) | KCNH2KCNB1ADORA2AADORA1SMN1; SMN2 | |
| SCHEMBL29494470 | 0.74 | METTL3 (0.43) | KCNH2KCNB1SMN1; SMN2CASRHTT | |
| SCHEMBL29494547 | 0.73 | RAB9A (0.48) | KCNH2KCNB1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL29494447 | 0.73 | MAPT (0.50) | KCNH2KCNB1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL29494530 | 0.72 | NPC1 (0.51) | KCNH2KCNB1NPC1RAB9ASMN1; SMN2 |
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-2022070048-A1 | NOVEL AMIDE DERIVATIVES | CADILA HEALTHCARE LIMITED (IN) | 2022-04-07 | — | — | WO | disclosed |