Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 11/20 | 1.00 |
| ▸ | CA9 | Q16790 | 1/20 | 0.49 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.48 |
| ▸ | PGR | P06401 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | CNR1 | P21554 | 1/20 | 0.43 |
| ▸ | GPR3 | P46089 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL5508801 | 0.83 | ADORA3 (0.83) | ADORA3CA9ADORA1ALDH1A1ADORA2A | |
| SCHEMBL5511769 | 0.82 | ADORA3 (1.00) | ADORA3CA9ADORA1ALDH1A1KMT2A | |
| SCHEMBL5513775 | 0.80 | ADORA3 (0.86) | ADORA3ALDH1A1KMT2APGRKDM4E | |
| Hydrochloric Acid SCHEMBL5507703 | 0.78 | ADORA3 (0.71) | ADORA3CA9ADORA1ADORA2APGR | |
| SCHEMBL5503857 | 0.72 | ADORA3 (0.64) | ADORA3CA9ADORA1ADORA2AKDM4E | |
| SCHEMBL31276757 | 0.69 | GPR3 (0.65) | ADORA3ALDH1A1KMT2APGRKDM4E | |
| SCHEMBL346785 | 0.69 | GPR3 (0.65) | ADORA3ALDH1A1KMT2APGRKDM4E | |
| SCHEMBL728937 | 0.69 | ADORA3 (0.80) | ADORA3ADORA1 | |
| SCHEMBL14802110 | 0.68 | ADORA3 (0.55) | ADORA3CA9ADORA1ADORA2AKDM4E | |
| SCHEMBL5504183 | 0.68 | ADORA3 (0.68) | ADORA3ADORA1ADORA2ACNR1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1863813-A2 | PYRAZOLO[3,4-C]QUINOLINES, PYRAZOLO[3,4-C]NAPHTHYRIDINES, ANALOGS THEREOF, AND METHODS | Coley Pharmaceutical Group, Inc. (US) | 2007-12-12 | — | — | EP | disclosed |
| WO-2006107771-A2 | PYRAZOLO[3,4-c]QUINOLINES, PYRAZOLO[3,4-c]NAPHTHYRIDINES, ANALOGS THEREOF, AND METHODS | COLEY PHARMACEUTICAL GROUP, INC. (US) | 2006-10-12 | — | — | WO | disclosed |