Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 5/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | DHFR | P00374 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4346270 | 1.00 | SLC6A3 (0.36) | SLC6A3SLC6A2SLC6A4DHFRALDH1A1 | |
| SCHEMBL4352061 | 1.00 | SLC6A3 (0.36) | SLC6A3SLC6A2SLC6A4DHFRALDH1A1 | |
| SCHEMBL8561699 | 0.81 | SLC6A3 (0.38) | SLC6A3SLC6A2SLC6A4DHFRALDH1A1 | |
| SCHEMBL8561697 | 0.81 | SLC6A3 (0.38) | SLC6A3SLC6A2SLC6A4DHFRALDH1A1 | |
| SCHEMBL8563270 | 0.81 | SLC6A3 (0.38) | SLC6A3SLC6A2SLC6A4DHFRALDH1A1 | |
| SCHEMBL1088984 | 0.81 | SLC6A3 (0.38) | SLC6A3SLC6A2SLC6A4DHFRALDH1A1 | |
| SCHEMBL8563263 | 0.81 | SLC6A3 (0.38) | SLC6A3SLC6A2SLC6A4DHFRALDH1A1 | |
| SCHEMBL2577927 | 0.81 | SLC6A3 (0.33) | SLC6A3SLC6A2SLC6A4DHFRALDH1A1 | |
| SCHEMBL8792121 | 0.80 | SLC6A3 (0.38) | SLC6A3SLC6A2SLC6A4DHFRALDH1A1 | |
| SCHEMBL4966921 | 0.80 | SLC6A3 (0.38) | 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-2004669-A1 | AZAHETEROCYCLYL DERIVATIVES OF ANDROSTANES AND ANDROSTENES AS MEDICAMENTS FOR CARDIOVASCULAR DISORDERS | SIGMA-TAU Industrie Farmaceutiche Riunite S.p.A. (IT) | 2008-12-24 | — | — | EP | disclosed |
| WO-2007118830-A1 | AZAHETEROCYCLYL DERIVATIVES OF ANDROSTANES AND ANDROSTENES AS MEDICAMENTS FOR CARDIOVASCULAR DISORDERS | SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) | 2007-10-25 | — | — | WO | disclosed |