Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | SLC9A3 | P48764 | 11/20 | 0.47 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.46 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL4032540 | 0.97 | ALDH1A1 (0.48) | ALDH1A1HPGDTSHRSLC9A3 | |
| SCHEMBL4029095 | 0.90 | ALDH1A1 (0.59) | ALDH1A1HPGDTSHRSLC9A3 | |
| SCHEMBL4031190 | 0.89 | SLC9A3 (0.48) | SLC9A3 | |
| SCHEMBL4032244 | 0.88 | SLC9A3 (0.59) | ALDH1A1HPGDTSHRSLC9A3 | |
| SCHEMBL4031612 | 0.87 | SLC9A3 (0.50) | SLC9A3 | |
| SCHEMBL4034181 | 0.86 | SLC9A3 (0.49) | SLC9A3 | |
| SCHEMBL4032563 | 0.83 | SLC9A3 (0.50) | SLC9A3 | |
| SCHEMBL4027890 | 0.83 | SLC9A3 (0.51) | SLC9A3 | |
| Cyclopropane SCHEMBL4035772 | 0.81 | SLC9A3 (0.54) | SLC9A3 | |
| Cyclopentane SCHEMBL4029948 | 0.81 | SLC9A3 (0.54) | SLC9A3 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1453810-B1 | SUBSTITUTED 4-PHENYLTETRAHYDROISOQUINOLINES, METHOD FOR THE PRODUCTION THEREOF, THE USE THEREOF AS MEDICAMENTS, IN ADDITION TO A MEDICAMENT CONTAINING SAME | SANOFI AVENTIS DEUTSCHLAND (DE) | 2009-03-18 | — | — | EP | claimed |