Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 16/20 | 0.52 |
| ▸ | ADORA1 | P30542 | 5/20 | 0.52 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL7759050 | 0.90 | ADORA3 (0.56) | ADORA3ADORA1ADORA2AKDM4EALDH1A1 | |
| SCHEMBL7759017 | 0.88 | ADORA3 (0.54) | ADORA3ADORA1ADORA2AKDM4EALDH1A1 | |
| SCHEMBL7970324 | 0.86 | ADORA3 (0.52) | ADORA3ADORA1ADORA2AKDM4EALDH1A1 | |
| SCHEMBL7759031 | 0.86 | ADORA3 (0.57) | ADORA3ADORA1ADORA2AADORA2B | |
| SCHEMBL7958774 | 0.85 | ADORA3 (0.49) | ADORA3ADORA1ADORA2AADORA2B | |
| SCHEMBL7759758 | 0.85 | ADORA3 (0.52) | ADORA3ADORA1ADORA2AADORA2B | |
| SCHEMBL7755169 | 0.84 | ADORA3 (0.54) | ADORA3ADORA1ADORA2AADORA2B | |
| SCHEMBL7759747 | 0.84 | ADORA3 (0.65) | ADORA3ADORA1ADORA2AALDH1A1ADORA2B | |
| SCHEMBL7759748 | 0.84 | ADORA3 (0.57) | ADORA3ADORA1ADORA2AADORA2B | |
| SCHEMBL7755158 | 0.82 | ADORA3 (0.56) | ADORA3ADORA1ADORA2AADORA2B |
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-6187780-B1 | ANTIDEPRESSANTS, ANTIASTHMATIC AGENTS; MIGRAINE | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2001-02-13 | — | — | US | disclosed |