Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 1/20 | 0.48 |
| ▸ | GPR39 | O43194 | 2/20 | 0.46 |
| ▸ | KCNN3 | Q9UGI6 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 5/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | F2 | P00734 | 2/20 | 0.40 |
| ▸ | F10 | P00742 | 1/20 | 0.40 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 6/20 | 0.39 |
| ▸ | TP53 | P04637 | 3/20 | 0.39 |
| ▸ | THRB | P10828 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | PPP1CA | P62136 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7703131 | 0.85 | ADORA2A (0.46) | ADORA2AKCNN3NPC1RAB9AF2 | |
| SCHEMBL7708909 | 0.84 | ADORA2A (0.52) | ADORA2ANPC1F2F10KLKB1 | |
| SCHEMBL6870348 | 0.83 | ADORA2A (0.56) | ADORA2AMAPTTP53SMN1; SMN2LMNA | |
| SCHEMBL7711822 | 0.82 | PDE2A (0.42) | KCNN3NPC1RAB9AMAPTTP53 | |
| SCHEMBL7484688 | 0.81 | THRB (0.52) | ADORA2AMAPTTP53THRBSMN1; SMN2 | |
| SCHEMBL7705858 | 0.81 | MAPT (0.46) | KCNN3NPC1RAB9AMAPTTP53 | |
| SCHEMBL7708776 | 0.77 | ADORA2A (0.53) | ADORA2ANPC1RAB9AMAPTTP53 | |
| SCHEMBL7428533 | 0.74 | ADORA2A (0.60) | ADORA2ANPC1RAB9AF2MAPT | |
| SCHEMBL7708907 | 0.73 | ADORA2A (0.52) | ADORA2ANPC1RAB9AMAPTTP53 | |
| SCHEMBL7438035 | 0.73 | ADORA2A (0.59) | ADORA2ANPC1RAB9AF2MAPT |
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 |