Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.34 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.34 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.34 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.34 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.34 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.34 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.34 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.33 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | IDE | P14735 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | F2 | P00734 | 1/20 | 0.33 |
| ▸ | PRCP | P42785 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 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 | |
|---|---|---|---|---|
| SCHEMBL28296124 | 0.92 | GAA (0.35) | ALDH1A1MTNR1AMTNR1BGAAMAPT | |
| SCHEMBL6831393 | 0.77 | HTR2A (0.36) | ALDH1A1MTNR1AMTNR1BF2 | |
| SCHEMBL29744976 | 0.74 | CYP2C9 (0.39) | ALDH1A1CYP1A2MAPK1 | |
| SCHEMBL10505998 | 0.73 | MAPT (0.47) | ALDH1A1MTNR1AMTNR1BGAAMAPT | |
| SCHEMBL28873839 | 0.73 | GAA (0.39) | ALDH1A1GAAMAPT | |
| SCHEMBL7099613 | 0.72 | GAA (0.36) | ALDH1A1GAAMAPTMAPK1 | |
| SCHEMBL3249767 | 0.72 | CYP2D6 (0.41) | ALDH1A1GAAMAPTMEN1TSHR | |
| SCHEMBL3240481 | 0.71 | PDE5A (0.37) | ALDH1A1MEN1TSHRKMT2A | |
| SCHEMBL5740073 | 0.71 | PDE5A (0.37) | ALDH1A1GAAMAPTMEN1CYP1A2 | |
| SCHEMBL27620851 | 0.69 | PRCP (0.41) | ALDH1A1MAPTPRCP |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0902781-A4 | PREPARATION OF (S)-DECAHYDROISOQUINOLINE-3-CARBOXYLIC ACID T-BUTYLAMIDE | NSC TECHNOLOGIES LLC (US) | 2000-07-19 | — | — | EP | claimed |
| EP-0902781-A1 | PREPARATION OF (S)-DECAHYDROISOQUINOLINE-3-CARBOXYLIC ACID T-BUTYLAMIDE | Monsanto Company (US) | 1999-03-24 | — | — | EP | claimed |
| WO-1997030976-A1 | PREPARATION OF (S)-DECAHYDROISOQUINOLINE-3-CARBOXYLIC ACID T-BUTYLAMIDE | MONSANTO COMPANY (US) | 1997-08-28 | — | — | WO | claimed |