Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DYRK1A | Q13627 | 16/20 | 0.46 |
| ▸ | CDK9 | P50750 | 3/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | DYRK2 | Q92630 | 1/20 | 0.42 |
| ▸ | APP | P05067 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL31298734 | 0.79 | ADORA3 (0.44) | DYRK1ACDK9ADORA3MEN1KMT2A | |
| SCHEMBL27195567 | 0.77 | ADORA3 (0.54) | CDK9ADORA3MEN1KMT2AAPP | |
| SCHEMBL2090059 | 0.77 | NOS3 (0.39) | DYRK1A | |
| SCHEMBL10528160 | 0.76 | ALDH1A1 (0.50) | — | |
| SCHEMBL10300271 | 0.76 | ALDH1A1 (0.50) | — | |
| SCHEMBL7708521 | 0.76 | MEN1 (0.67) | DYRK1ACDK9MEN1KMT2ADYRK2 | |
| SCHEMBL3790289 | 0.75 | ALDH1A1 (0.58) | MEN1KMT2AAPP | |
| SCHEMBL20047071 | 0.74 | BACE1 (0.65) | — | |
| SCHEMBL13551944 | 0.74 | DYRK1A (0.48) | DYRK1ACDK9MEN1KMT2ADYRK2 | |
| SCHEMBL28147640 | 0.73 | ESR1 (0.44) | ADORA3 |
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 |