Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 7/20 | 0.46 |
| ▸ | MAP4K2 | Q12851 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 6/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.44 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.42 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL19438042 | 0.82 | POLB (0.44) | ALDH1A1ADORA3KDM4EPOLBADORA1 | |
| SCHEMBL19438204 | 0.81 | ALDH1A1 (0.48) | ALDH1A1ADORA3KDM4EPOLBADORA1 | |
| SCHEMBL19437862 | 0.81 | ALDH1A1 (0.48) | ALDH1A1ADORA3KDM4EPOLBADORA1 | |
| SCHEMBL19438047 | 0.81 | ADORA3 (0.44) | ALDH1A1ADORA3KDM4EPOLBADORA1 | |
| SCHEMBL19438045 | 0.81 | ADORA3 (0.44) | ALDH1A1ADORA3KDM4EPOLBADORA1 | |
| SCHEMBL19437863 | 0.81 | ALDH1A1 (0.48) | ALDH1A1ADORA3KDM4EPOLBADORA1 | |
| SCHEMBL19438121 | 0.81 | ADORA3 (0.44) | ALDH1A1ADORA3KDM4EPOLBADORA1 | |
| SCHEMBL19449468 | 0.80 | CHEK2 (0.42) | ALDH1A1KDM4EPOLBSMN1; SMN2MEN1 | |
| SCHEMBL19449402 | 0.79 | ALDH1A1 (0.55) | ALDH1A1ADORA3KDM4EPOLBADORA2A | |
| SCHEMBL19438172 | 0.78 | TSHR (0.43) | ALDH1A1ADORA3KDM4EPOLBADORA1 |
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-2017176961-A1 | IMIDAZO [1,5-A]PYRIMIDINYL CARBOXAMIDE COMPOUNDS AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS | LYSOSOMAL THERAPEUTICS INC. (US) | 2017-10-12 | — | — | WO | disclosed |