Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | CCR6 | P51684 | 1/20 | 0.42 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | MGLL | Q99685 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL27521379 | 0.87 | DRD2 (0.47) | CCR6PAX8NPC1RAB9AALDH1A1 | |
| SCHEMBL12311314 | 0.76 | PAX8 (0.49) | HTTCCR6PAX8NPC1RAB9A | |
| SCHEMBL6560598 | 0.75 | HTT (0.54) | HTTCCR6PAX8ALDH1A1LMNA | |
| SCHEMBL31629174 | 0.75 | CCR6 (0.62) | HTTCCR6PAX8ALDH1A1LMNA | |
| SCHEMBL12311342 | 0.75 | ALDH1A1 (0.50) | HTTCCR6PAX8NPC1RAB9A | |
| SCHEMBL3084308 | 0.75 | ALDH1A1 (0.50) | CCR6PAX8ALDH1A1MAPTHPGD | |
| SCHEMBL7105658 | 0.75 | OPRK1 (0.45) | NPC1RAB9AALDH1A1MAPTLMNA | |
| SCHEMBL84134 | 0.74 | ALDH1A1 (0.49) | HTTCCR6PAX8NPC1RAB9A | |
| SCHEMBL8740013 | 0.74 | ALDH1A1 (0.55) | ALDH1A1MAPTLMNAOPRK1MAPK1 | |
| SCHEMBL11790891 | 0.73 | ALDH1A1 (0.48) | HTTCCR6PAX8NPC1RAB9A |
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-2007001406-A2 | ARYL-CONTAINING MACROCYCLIC COMPOUNDS | CHIRON CORPORATION (US) | 2007-01-04 | — | — | WO | disclosed |