Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 5/20 | 0.63 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.63 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 14/20 | 0.61 |
| ▸ | AOX1 | Q06278 | 1/20 | 0.61 |
| ▸ | GFER | P55789 | 1/20 | 0.60 |
| ▸ | GAA | P10253 | 2/20 | 0.58 |
| ▸ | MAPT | P10636 | 6/20 | 0.54 |
| ▸ | LMNA | P02545 | 5/20 | 0.54 |
| ▸ | PKM | P14618 | 2/20 | 0.54 |
| ▸ | HTT | P42858 | 3/20 | 0.54 |
| ▸ | APP | P05067 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.50 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.50 |
| ▸ | ABAT | P80404 | 1/20 | 0.50 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 6/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL1935202 | 0.92 | HPGD (0.67) | HPGDSMN1; SMN2MAPK1ALDH1A1GFER | |
| SCHEMBL1936658 | 0.87 | GFER (0.72) | HPGDSMN1; SMN2MAPK1ALDH1A1GFER | |
| SCHEMBL9155140 | 0.86 | GFER (0.61) | HPGDSMN1; SMN2MAPK1ALDH1A1GFER | |
| SCHEMBL21993216 | 0.82 | GFER (0.58) | HPGDSMN1; SMN2MAPK1ALDH1A1GFER | |
| SCHEMBL15631695 | 0.79 | GFER (0.53) | HPGDSMN1; SMN2MAPK1ALDH1A1GFER | |
| Isovanillin SCHEMBL1535672 | 0.78 | ALDH1A1 (1.00) | HPGDSMN1; SMN2ALDH1A1AOX1MAPT | |
| Isovanillin SCHEMBL70256 | 0.78 | ALDH1A1 (1.00) | HPGDSMN1; SMN2ALDH1A1AOX1MAPT | |
| Isovanillin SCHEMBL29396443 | 0.78 | ALDH1A1 (1.00) | HPGDSMN1; SMN2ALDH1A1AOX1MAPT | |
| SCHEMBL222230 | 0.78 | GFER (0.60) | HPGDSMN1; SMN2MAPK1ALDH1A1GFER | |
| SCHEMBL222229 | 0.78 | GFER (0.60) | HPGDSMN1; SMN2MAPK1ALDH1A1GFER |
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-2331539-A2 | 1,3,4,6,7,11B-HEXAHYDRO-BENZO[ALPHA]QUINOLIZINES FOR THE TREATMENT OF HYPERKINETIC MOVEMENT AND RELATED DISORDERS | Biovail Laboratories International (Barbados) SRL (BB) | 2011-06-15 | — | — | EP | disclosed |
| WO-2010026436-A2 | PHARMACEUTICAL COMPOUNDS | BIOVAIL LABORATORIES INTERNATIONAL (BARBADOS) SRL (BB) | 2010-03-11 | — | — | WO | disclosed |