Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | KDM4A | O75164 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 2/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | TOP2A | P11388 | 1/20 | 0.41 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.40 |
| ▸ | EIF4H | Q15056 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3364448 | 0.82 | BRD4 (0.47) | ALDH1A1HPGDKDM4EHSD17B10PABPC1 | |
| SCHEMBL3364428 | 0.80 | GABRG2 (0.41) | ALDH1A1HPGDKDM4EHSD17B10CA12 | |
| SCHEMBL3367441 | 0.79 | CRHR1 (0.47) | ALDH1A1HPGDKDM4EHSD17B10LMNA | |
| SCHEMBL3363110 | 0.79 | KDM4E (0.41) | ALDH1A1HPGDKDM4EHSD17B10LMNA | |
| SCHEMBL3364893 | 0.79 | SMN1; SMN2 (0.40) | ALDH1A1HPGDKDM4EHSD17B10PABPC1 | |
| SCHEMBL3364882 | 0.79 | ALDH1A1 (0.45) | ALDH1A1HPGDKDM4EHSD17B10CA12 | |
| SCHEMBL3364407 | 0.79 | HSD17B10 (0.44) | ALDH1A1HPGDHSD17B10SMN1; SMN2MAPK14 | |
| SCHEMBL3364849 | 0.78 | CRHR1 (0.43) | KDM4ELMNASMN1; SMN2MAPTMEN1 | |
| SCHEMBL3362436 | 0.78 | BRD9 (0.37) | ALDH1A1HPGDKDM4EHSD17B10CA12 | |
| SCHEMBL3364215 | 0.78 | GABRG2 (0.52) | ALDH1A1HPGDKDM4EHSD17B10LMNA |
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-1656353-B1 | GABANERGIC MODULATORS | HOFFMANN LA ROCHE (CH) | 2010-01-27 | — | — | EP | disclosed |
| WO-2005016892-A1 | GABANERGIC MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2005-02-24 | — | — | WO | disclosed |