Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNK3 | O14649 | 3/20 | 0.58 |
| ▸ | KCNK9 | Q9NPC2 | 2/20 | 0.58 |
| ▸ | NPC1 | O15118 | 3/20 | 0.57 |
| ▸ | RAB9A | P51151 | 3/20 | 0.57 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.55 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.55 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.55 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.55 |
| ▸ | CNR2 | P34972 | 1/20 | 0.55 |
| ▸ | BRAF | P15056 | 3/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.53 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.53 |
| ▸ | MAOB | P27338 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | PTBP1 | P26599 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL22065285 | 0.88 | BRAF (0.60) | KCNK3KCNK9NPC1RAB9AADORA3 | |
| SCHEMBL22065290 | 0.85 | MEN1 (0.61) | KCNK3KCNK9NPC1RAB9ABRAF | |
| SCHEMBL22066357 | 0.85 | HDAC8 (0.58) | KCNK3KCNK9NPC1RAB9ACNR2 | |
| SCHEMBL22025353 | 0.85 | KCNK3 (0.55) | KCNK3KCNK9NPC1RAB9AADORA3 | |
| SCHEMBL22024688 | 0.85 | CNR2 (0.55) | KCNK3KCNK9NPC1RAB9AADORA3 | |
| SCHEMBL22065293 | 0.84 | MAOB (0.53) | KCNK3KCNK9NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL22065403 | 0.84 | ALDH1A1 (0.56) | KCNK3KCNK9SMN1; SMN2KDM4EMEN1 | |
| SCHEMBL22065295 | 0.84 | KCNK3 (0.58) | KCNK3KCNK9NPC1RAB9ABRAF | |
| SCHEMBL22065405 | 0.82 | RXFP1 (0.67) | KCNK3KCNK9NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL23092213 | 0.81 | NPC1 (0.62) | KCNK3KCNK9NPC1RAB9AADORA3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3663293-A1 | SUBSTITUTED PENTA- AND HEXA-HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, DRUG COMBINATION AND USE THEREOF | Xiamen University (CN) | 2020-06-10 | — | — | EP | disclosed |