Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | DHFR | P00374 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5729286 | 0.96 | PTGS1 (0.34) | PTGS1TP53SLC6A3SLC6A2SLC6A4 | |
| SCHEMBL5731066 | 0.94 | PTGS1 (0.34) | PTGS1TP53ALDH1A1 | |
| SCHEMBL5729633 | 0.93 | SLC6A2 (0.37) | PTGS1SLC6A3SLC6A2SLC6A4ALDH1A1 | |
| SCHEMBL5729513 | 0.93 | SLC6A2 (0.37) | PTGS1SLC6A3SLC6A2SLC6A4ALDH1A1 | |
| SCHEMBL5729312 | 0.90 | PTGS1 (0.34) | PTGS1SLC6A3SLC6A2SLC6A4 | |
| SCHEMBL6304492 | 0.89 | MLLT1 (0.34) | PTGS1ALDH1A1HPGDCYP2D6MAPK1 | |
| SCHEMBL5729044 | 0.89 | SLC6A2 (0.39) | PTGS1SLC6A3SLC6A2SLC6A4ALDH1A1 | |
| SCHEMBL6307246 | 0.88 | S1PR1 (0.34) | SLC6A3SLC6A2SLC6A4 | |
| SCHEMBL5729587 | 0.88 | ALDH1A1 (0.38) | PTGS1SLC6A3SLC6A2SLC6A4ALDH1A1 | |
| SCHEMBL5729015 | 0.88 | ADORA2A (0.33) | TP53SLC6A3SLC6A2SLC6A4CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| US-6869969-B2 | Estrogen receptor modulators | CHIRON CORPORATION (US) | 2005-03-22 | — | — | US | disclosed |