Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 2/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL27519962 | 0.85 | SLC6A4 (0.33) | SLC6A4SLC6A3 | |
| SCHEMBL14883393 | 0.83 | TSHR (0.32) | TSHR | |
| SCHEMBL9609263 | 0.83 | TSHR (0.32) | TSHR | |
| SCHEMBL14883392 | 0.83 | TSHR (0.32) | TSHR | |
| SCHEMBL10281407 | 0.81 | TSHR (0.33) | TSHR | |
| SCHEMBL23159802 | 0.77 | PPARA (0.31) | — | |
| SCHEMBL27484622 | 0.77 | EPHX1 (0.36) | — | |
| SCHEMBL5038334 | 0.76 | — | — | |
| SCHEMBL1726950 | 0.76 | — | — | |
| SCHEMBL5173254 | 0.74 | TSHR (0.32) | TSHR |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7235363-B2 | Method for the screening of α2δ-1 subunit binding ligands | WARNER-LAMBERT COMPANY (US) | 2007-06-26 | — | — | US | disclosed |
| US-6958218-B2 | Method for the screening of α2δ-1 subunit binding ligands | WARNER-LAMBERT COMPANY (US) | 2005-10-25 | — | — | US | disclosed |
| US-20050186638-A1 | Method for the screening of alpha2beta-1 subunit binding ligands | BERTELLI FRANCOIS (GB) | 2005-08-25 | — | — | US | disclosed |
| US-20030073132-A1 | Method for the screening of alpha2delta-1 subunit binding ligands | BERTELLI FRANCOIS (GB) | 2003-04-17 | — | — | US | disclosed |
| EP-1214599-A2 | SCREENING FOR ALPHA2DELTA-1 SUBUNIT BINDING LIGANDS | WARNER-LAMBERT COMPANY (US) | 2002-06-19 | — | — | EP | disclosed |
| WO-2001020336-A2 | SCREENING FOR α2δ-1 SUBUNIT BINDING LIGANDS | WARNER-LAMBERT COMPANY (US) | 2001-03-22 | — | — | WO | disclosed |