Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | MGAM | O43451 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | SI | P14410 | 1/20 | 0.36 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.36 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.33 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL11658288 | 0.78 | ALDH1A1 (0.53) | ALDH1A1LMNAHSD17B10ALOX15MGAM | |
| SCHEMBL16446464 | 0.75 | ALDH1A1 (0.48) | ALDH1A1LMNAHSD17B10ALOX15MGAM | |
| SCHEMBL16446460 | 0.75 | ALDH1A1 (0.48) | ALDH1A1LMNAHSD17B10ALOX15MGAM | |
| SCHEMBL16446463 | 0.75 | ALDH1A1 (0.48) | ALDH1A1LMNAHSD17B10ALOX15MGAM | |
| SCHEMBL28849503 | 0.73 | ALDH1A1 (0.46) | ALDH1A1LMNAHSD17B10ALOX15MGAM | |
| SCHEMBL1275715 | 0.72 | ALDH1A1 (0.40) | ALDH1A1LMNAHSD17B10ALOX15MGAM | |
| Acetic Acid SCHEMBL17923482 | 0.72 | ALDH1A1 (0.50) | ALDH1A1LMNAHSD17B10ALOX15MGAM | |
| SCHEMBL738068 | 0.72 | ALDH1A1 (0.46) | ALDH1A1LMNAHSD17B10ALOX15MGAM | |
| SCHEMBL6764213 | 0.71 | ALDH1A1 (0.44) | ALDH1A1LMNAHSD17B10ALOX15MGAM | |
| SCHEMBL20262463 | 0.71 | ALDH1A1 (0.44) | ALDH1A1LMNAHSD17B10ALOX15MGAM |
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-1863765-A1 | 6, 7, 8, 9-TETRAHYDRO-5-AMINO-5H-BENZOCYCLOHEPTEN-6-OL DERIVATIVES AND RELATED COMPOUNDS USED AS ANTI-INFLAMMATORY AGENTS | Bayer Schering Pharma Aktiengesellschaft (DE) | 2007-12-12 | — | — | EP | disclosed |
| WO-2006100099-A1 | 6, 7, 8, 9-TETRAHYDRO-5-AMINO-5H-BENZOCYCLOHEPTEN-6-OL DERIVATIVES AND RELATED COMPOUNDS USED AS ANTI-INFLAMMATORY AGENTS | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2006-09-28 | — | — | WO | disclosed |