Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 8/20 | 0.37 |
| ▸ | NPC1 | O15118 | 3/20 | 0.34 |
| ▸ | RAB9A | P51151 | 3/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.34 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.34 |
| ▸ | RELA | Q04206 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | PKM | P14618 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7708391 | 0.85 | ADORA2A (0.45) | ADORA2ANPC1RAB9ANFKB1NFKB2 | |
| SCHEMBL7487756 | 0.84 | ADORA2A (0.56) | ADORA2A | |
| SCHEMBL7711697 | 0.82 | ADORA2A (0.35) | ADORA2ANPC1RAB9ASMN1; SMN2KMT2A | |
| SCHEMBL7709007 | 0.82 | ADORA2A (0.53) | BACE1ADORA2ANPC1RAB9ANFKB1 | |
| SCHEMBL7711711 | 0.81 | ALDH1A1 (0.44) | ADORA2ANPC1RAB9ANFKB1NFKB2 | |
| SCHEMBL7703234 | 0.80 | ADORA2A (0.38) | ADORA2ANPC1RAB9ANFKB1NFKB2 | |
| SCHEMBL7708534 | 0.80 | ADORA2A (0.53) | BACE1ADORA2ANPC1RAB9AALDH1A1 | |
| SCHEMBL7703218 | 0.80 | NOTUM (0.37) | ADORA2AKMT2AALDH1A1MEN1 | |
| SCHEMBL7709236 | 0.79 | ALDH1A1 (0.48) | ADORA2ANPC1RAB9ANFKB1NFKB2 | |
| SCHEMBL7705951 | 0.78 | BACE1 (0.40) | BACE1ADORA2ANPC1RAB9ANFKB1 |
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 |