Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 2/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
| ▸ | PPARG | P37231 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 2/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | GLA | P06280 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL28010659 | 0.68 | SLC6A4 (0.33) | SLC6A4OPRM1SLC6A2 | |
| SCHEMBL27975816 | 0.66 | MEN1 (0.37) | SLC6A4OPRM1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL14017964 | 0.66 | MEN1 (0.35) | SLC6A4OPRM1SMN1; SMN2SLC6A2MEN1 | |
| SCHEMBL4489686 | 0.64 | MEN1 (0.34) | SLC6A4OPRM1MEN1KMT2A | |
| SCHEMBL6160914 | 0.63 | ADRB2 (0.36) | SLC6A4OPRM1SMN1; SMN2SLC6A2MEN1 | |
| SCHEMBL28335459 | 0.63 | CA1 (0.34) | MEN1KMT2A | |
| SCHEMBL27975817 | 0.63 | TSHR (0.48) | SMN1; SMN2MEN1KMT2AALDH1A1HPGD | |
| SCHEMBL14780056 | 0.62 | MEN1 (0.35) | SLC6A4OPRM1SMN1; SMN2SLC6A2MEN1 | |
| SCHEMBL14778543 | 0.62 | MEN1 (0.35) | SLC6A4OPRM1SMN1; SMN2SLC6A2MEN1 | |
| SCHEMBL6161200 | 0.62 | MEN1 (0.35) | SLC6A4OPRM1SMN1; SMN2SLC6A2MEN1 |
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-0977734-A2 | ARYLSECOCHOLADIENE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2000-02-09 | — | — | EP | disclosed |
| WO-1998047866-A2 | ARYLSECOCHOLADIENE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 1998-10-29 | — | — | WO | disclosed |