Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 2/20 | 0.52 |
| ▸ | GRM5 | P41594 | 6/20 | 0.51 |
| ▸ | F2 | P00734 | 2/20 | 0.50 |
| ▸ | F12 | P00748 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 4/20 | 0.48 |
| ▸ | RAB9A | P51151 | 4/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.48 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.48 |
| ▸ | RELA | Q04206 | 2/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | DCTPP1 | Q9H773 | 1/20 | 0.45 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7708845 | 0.88 | ADORA2A (0.54) | ADORA2AGRM5F2F12NPC1 | |
| SCHEMBL7481320 | 0.88 | ADORA2A (0.54) | ADORA2AGRM5F2F12NPC1 | |
| SCHEMBL7481790 | 0.86 | ADORA2A (0.52) | ADORA2AF2F12NPC1RAB9A | |
| SCHEMBL7703127 | 0.86 | ADORA2A (0.52) | ADORA2AGRM5NPC1RAB9AALDH1A1 | |
| SCHEMBL7708837 | 0.86 | GRM5 (0.52) | ADORA2AGRM5F2F12NPC1 | |
| SCHEMBL7483006 | 0.85 | NPC1 (0.53) | ADORA2AGRM5F2F12NPC1 | |
| SCHEMBL7428533 | 0.85 | ADORA2A (0.60) | ADORA2AF2F12NPC1RAB9A | |
| SCHEMBL7705888 | 0.83 | ADORA2A (0.49) | ADORA2AGRM5F2F12NPC1 | |
| SCHEMBL7431418 | 0.83 | ADORA2A (0.56) | ADORA2AGRM5F2F12NPC1 | |
| SCHEMBL7428379 | 0.82 | ADORA2A (0.53) | ADORA2AGRM5F2F12NPC1 |
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 |