Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 7/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 5/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.39 |
| ▸ | DHFR | P00374 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7804926 | 0.96 | SLC6A3 (0.34) | SLC6A3SLC6A2SLC6A4DHFR | |
| SCHEMBL3607539 | 0.85 | SLC6A3 (0.41) | SLC6A3SLC6A2SLC6A4DHFRALDH1A1 | |
| SCHEMBL5213311 | 0.82 | SLC6A3 (0.42) | SLC6A3SLC6A2SLC6A4DHFRALDH1A1 | |
| SCHEMBL4529733 | 0.79 | SLC6A3 (0.36) | SLC6A3SLC6A2SLC6A4DHFR | |
| SCHEMBL8466714 | 0.76 | SLC6A3 (0.38) | SLC6A3SLC6A2SLC6A4DHFRALDH1A1 | |
| SCHEMBL28977451 | 0.76 | SLC6A3 (0.43) | SLC6A3SLC6A2SLC6A4DHFRALDH1A1 | |
| SCHEMBL20594002 | 0.76 | SLC6A3 (0.43) | SLC6A3SLC6A2SLC6A4DHFRALDH1A1 | |
| SCHEMBL1062308 | 0.76 | SLC6A3 (0.43) | SLC6A3SLC6A2SLC6A4DHFRALDH1A1 | |
| SCHEMBL1059808 | 0.76 | SLC6A3 (0.43) | SLC6A3SLC6A2SLC6A4DHFRALDH1A1 | |
| SCHEMBL3905650 | 0.75 | SLC6A3 (0.39) | SLC6A3SLC6A2SLC6A4DHFR |
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-1628533-A2 | CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY | ANORMED INC. (CA) | 2006-03-01 | — | — | EP | disclosed |
| WO-2004106493-A2 | CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY | ANORMED INC. (CA) | 2004-12-09 | — | — | WO | disclosed |