Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 18/20 | 0.51 |
| ▸ | SLC6A3 | Q01959 | 11/20 | 0.51 |
| ▸ | SLC6A4 | P31645 | 14/20 | 0.46 |
| ▸ | DCUN1D1 | Q96GG9 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL5744569 | 0.80 | DCUN1D1 (0.52) | SLC6A2SLC6A3SLC6A4DCUN1D1 | |
| SCHEMBL2877349 | 0.75 | SLC6A2 (0.73) | SLC6A2SLC6A3SLC6A4 | |
| Hydrochloric Acid SCHEMBL15012233 | 0.71 | SLC6A2 (0.57) | SLC6A2SLC6A3SLC6A4 | |
| Hydrochloric Acid SCHEMBL15012232 | 0.71 | SLC6A2 (0.57) | SLC6A2SLC6A3SLC6A4 | |
| SCHEMBL4585074 | 0.70 | SLC6A2 (0.52) | SLC6A2SLC6A3SLC6A4 | |
| SCHEMBL3811903 | 0.68 | DCUN1D1 (0.58) | SLC6A2SLC6A3SLC6A4DCUN1D1 | |
| Hydrochloric Acid SCHEMBL22797970 | 0.68 | SLC6A2 (0.59) | SLC6A2SLC6A3SLC6A4DCUN1D1 | |
| SCHEMBL4585570 | 0.68 | SLC6A2 (0.47) | SLC6A2SLC6A3SLC6A4 | |
| SCHEMBL20475214 | 0.68 | RAB9A (0.51) | — | |
| Fumaric Acid SCHEMBL5439692 | 0.67 | SLC6A2 (1.00) | SLC6A2SLC6A3SLC6A4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1730137-A1 | HETEROCYCLIC CGRP ANTAGONISTS FOR THE TREATMENT OF MIGRAINE | Bristol-Myers Squibb Company (US) | 2006-12-13 | — | — | EP | disclosed |
| WO-2005095383-A1 | HETEROCYCLIC CGRP ANTAGONISTS FOR THE TREATMENT OF MIGRAINE | BRISTOL-MYERS SQUIBB COMPANY (US) | 2005-10-13 | — | — | WO | disclosed |