Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.66 |
| ▸ | POLB | P06746 | 2/20 | 0.61 |
| ▸ | HPGD | P15428 | 2/20 | 0.61 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.61 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.61 |
| ▸ | MAPT | P10636 | 3/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.52 |
| ▸ | STAT3 | P40763 | 1/20 | 0.50 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.49 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.49 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.49 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.48 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL63778 | 0.85 | ALDH1A1 (0.73) | ALDH1A1POLBHPGDHSD17B10KDM4E | |
| SCHEMBL13271450 | 0.84 | ALDH1A1 (0.60) | ALDH1A1POLBHPGDHSD17B10KDM4E | |
| Hydrochloric Acid SCHEMBL19119306 | 0.84 | ALDH1A1 (0.71) | ALDH1A1POLBHPGDHSD17B10KDM4E | |
| SCHEMBL31283651 | 0.81 | ALDH1A1 (0.71) | ALDH1A1POLBHPGDHSD17B10KDM4E | |
| SCHEMBL357927 | 0.81 | ALDH1A1 (0.71) | ALDH1A1POLBHPGDHSD17B10KDM4E | |
| SCHEMBL23655010 | 0.81 | ALDH1A1 (0.62) | ALDH1A1POLBHPGDHSD17B10KDM4E | |
| SCHEMBL19160257 | 0.81 | ALDH1A1 (0.71) | ALDH1A1POLBHPGDHSD17B10KDM4E | |
| SCHEMBL209882 | 0.81 | ALDH1A1 (0.71) | ALDH1A1POLBHPGDHSD17B10KDM4E | |
| SCHEMBL2974981 | 0.81 | ALDH1A1 (0.71) | ALDH1A1POLBHPGDHSD17B10KDM4E | |
| SCHEMBL243892 | 0.81 | ALDH1A1 (0.71) | ALDH1A1POLBHPGDHSD17B10KDM4E |
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-2054411-A1 | NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME | Amorepacific Corporation (KR) | 2009-05-06 | — | — | EP | disclosed |
| WO-2008013414-A1 | NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME | AMOREPACIFIC CORPORATION (KR) | 2008-01-31 | — | — | WO | disclosed |