Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 10/20 | 0.83 |
| ▸ | PGR | P06401 | 2/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | HTT | P42858 | 2/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | MAT2A | P31153 | 1/20 | 0.46 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.46 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | MITF | O75030 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL5511769 | 0.91 | ADORA3 (1.00) | ADORA3PGRLMNAHTTHPGD | |
| SCHEMBL5513775 | 0.89 | ADORA3 (0.86) | ADORA3PGRLMNAHTTHPGD | |
| Hydrochloric Acid SCHEMBL5507703 | 0.86 | ADORA3 (0.71) | ADORA3PGRCA9MAT2AADORA2A | |
| SCHEMBL5509727 | 0.85 | ADORA3 (0.77) | ADORA3CA9MAT2AADORA2AADORA1 | |
| SCHEMBL5503114 | 0.83 | ADORA3 (1.00) | ADORA3PGRHPGDALDH1A1CA9 | |
| SCHEMBL5503857 | 0.77 | ADORA3 (0.64) | ADORA3HPGDCA9ADORA2AADORA1 | |
| SCHEMBL14802110 | 0.74 | ADORA3 (0.55) | ADORA3MAPK8CA9ADORA2AADORA1 | |
| SCHEMBL11720741 | 0.73 | PGR (0.69) | PGRLMNAHTTHPGDMAPK1 | |
| SCHEMBL5502979 | 0.71 | HTT (0.51) | ADORA3PGRLMNAHTTHPGD | |
| SCHEMBL151563 | 0.69 | ALDH1A1 (0.75) | LMNAHTTHPGDMAPK1ALDH1A1 |
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 |