Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 16/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | USP2 | O75604 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.45 |
| ▸ | CASP1 | P29466 | 1/20 | 0.45 |
| ▸ | CASP7 | P55210 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.41 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.41 |
| ▸ | BACE1 | P56817 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7711726 | 0.89 | ADORA2A (0.54) | ADORA2AALDH1A1HPGDADORA1ADORA3 | |
| SCHEMBL7709007 | 0.87 | ADORA2A (0.53) | ADORA2AALDH1A1HPGDADORA1ADORA3 | |
| SCHEMBL7711685 | 0.85 | ADORA2A (0.57) | ADORA2AALDH1A1HPGDKDM4EMEN1 | |
| SCHEMBL7708420 | 0.85 | ADORA2A (0.51) | ADORA2AALDH1A1KDM4EGAAADORA1 | |
| SCHEMBL7491175 | 0.83 | ADORA2A (0.55) | ADORA2AALDH1A1HPGDKDM4EMEN1 | |
| SCHEMBL7711783 | 0.82 | ADORA2A (0.53) | ADORA2AALDH1A1HPGDADORA1BACE1 | |
| SCHEMBL7705841 | 0.82 | ADORA2A (0.56) | ADORA2AADORA1ADORA3 | |
| SCHEMBL7711750 | 0.80 | ADORA2A (0.57) | ADORA2AALDH1A1HPGDKDM4EMEN1 | |
| SCHEMBL7709133 | 0.80 | ADORA2A (0.54) | ADORA2AALDH1A1HPGDKDM4EMEN1 | |
| SCHEMBL7705907 | 0.79 | ADORA2A (0.56) | ADORA2AALDH1A1KDM4EMEN1MAPT |
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 |