Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 10/20 | 0.40 |
| ▸ | CTSD | P07339 | 3/20 | 0.36 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.34 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.34 |
| ▸ | BACE2 | Q9Y5Z0 | 2/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.33 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.33 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.33 |
| ▸ | DPP4 | P27487 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.32 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL16591488 | 0.85 | BACE1 (0.42) | BACE1CTSDHCAR3HCAR2HDAC3 | |
| SCHEMBL23251457 | 0.79 | BACE1 (0.40) | BACE1ADRA2AADRA2BADRA2CADRA1B | |
| SCHEMBL19584560 | 0.78 | BACE1 (0.39) | BACE1HCAR3HCAR2HDAC3HDAC1 | |
| SCHEMBL25400622 | 0.78 | DPP4 (0.47) | BACE1DPP4ALDH1A1 | |
| SCHEMBL16585059 | 0.78 | BACE1 (0.39) | BACE1HCAR3HCAR2HDAC3HDAC1 | |
| SCHEMBL18016889 | 0.77 | BACE1 (0.39) | BACE1CTSDHCAR3HCAR2BACE2 | |
| SCHEMBL15043676 | 0.77 | SLC6A3 (0.46) | — | |
| SCHEMBL16301186 | 0.77 | HDAC4 (0.47) | S1PR1S1PR3 | |
| SCHEMBL12000522 | 0.76 | SLC6A3 (0.48) | — | |
| SCHEMBL19262168 | 0.73 | SLC6A3 (0.49) | — |
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-9738642-B2 | Triazolopyridine ether derivatives and their use in neurological and pyschiatric disorders | BRISTOL-MYERS SQUIBB COMPANY (US) | 2017-08-22 | — | — | US | disclosed |