Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.48 |
| ▸ | LMNA | P02545 | 4/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.48 |
| ▸ | MAPT | P10636 | 4/20 | 0.48 |
| ▸ | MEN1 | O00255 | 3/20 | 0.48 |
| ▸ | TP53 | P04637 | 2/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 5/20 | 0.47 |
| ▸ | RAB9A | P51151 | 5/20 | 0.47 |
| ▸ | HPGD | P15428 | 5/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.43 |
| ▸ | NFKB2 | Q00653 | 3/20 | 0.43 |
| ▸ | RELA | Q04206 | 3/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | ADK | P55263 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7708740 | 0.89 | ADORA2A (0.57) | ADORA2AALDH1A1KDM4EKMT2AMAPT | |
| SCHEMBL7708573 | 0.88 | ADORA2A (0.52) | ADORA2AALDH1A1KDM4ELMNAKMT2A | |
| SCHEMBL7432234 | 0.88 | ADORA2A (0.56) | ADORA2AALDH1A1KDM4EKMT2AMEN1 | |
| SCHEMBL7705971 | 0.87 | ADORA2A (0.51) | ADORA2AALDH1A1KDM4ELMNAKMT2A | |
| SCHEMBL7709150 | 0.83 | ADORA2A (0.54) | ADORA2AALDH1A1KDM4ELMNAKMT2A | |
| SCHEMBL7708503 | 0.81 | NPC1 (0.53) | ADORA2AALDH1A1KDM4ELMNAKMT2A | |
| SCHEMBL7711729 | 0.79 | ADORA2A (0.52) | ADORA2AALDH1A1KDM4ELMNAKMT2A | |
| SCHEMBL7709012 | 0.78 | ADORA2A (0.49) | ADORA2AALDH1A1KDM4ELMNAKMT2A | |
| SCHEMBL7480280 | 0.78 | ADORA2A (0.59) | ADORA2AALDH1A1KDM4ELMNAKMT2A | |
| SCHEMBL7705871 | 0.77 | FYN (0.55) | ADORA2AALDH1A1KDM4EKMT2AMAPT |
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-6355653-B1 | DRUG AND CARRIER FOR ANTIALLERGENS, BRAIN DISORDERS AND NEUROTRANSMITTERS | HOFFMANN-LA ROCHE INC. | 2002-03-12 | — | — | US | disclosed |