Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 4/20 | 0.46 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.46 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.42 |
| ▸ | RELA | Q04206 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 4/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.42 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL7705865 | 0.84 | ADORA2A (0.53) | ADORA2AADORA1ADORA3 | |
| SCHEMBL7423524 | 0.84 | ALDH1A1 (0.53) | ADORA2AADORA1ALDH1A1ADORA3SMN1; SMN2 | |
| SCHEMBL7709122 | 0.83 | MAOA (0.47) | ADORA2AADORA1ALDH1A1ADORA3SMN1; SMN2 | |
| SCHEMBL7703064 | 0.81 | ALDH1A1 (0.45) | ADORA2AADORA1ALDH1A1ADORA3SMN1; SMN2 | |
| SCHEMBL7427474 | 0.78 | SMN1; SMN2 (0.47) | ADORA2AADORA1ALDH1A1ADORA3SMN1; SMN2 | |
| SCHEMBL7703244 | 0.78 | DPP4 (0.47) | ADORA2AADORA1ALDH1A1ADORA3SMN1; SMN2 | |
| SCHEMBL7426447 | 0.75 | ADORA3 (0.46) | ADORA2AADORA1ALDH1A1ADORA3SMN1; SMN2 | |
| SCHEMBL7709143 | 0.75 | RXRA (0.44) | ADORA2AADORA1ALDH1A1ADORA3SMN1; SMN2 | |
| SCHEMBL7703193 | 0.74 | ADORA2A (0.46) | ADORA2AADORA1ALDH1A1ADORA3SMN1; SMN2 | |
| SCHEMBL7703010 | 0.74 | NPC1 (0.55) | ADORA2AADORA1ALDH1A1SMN1; SMN2NPC1 |
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 |