Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LCK | P06239 | 1/20 | 0.45 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | BCHE | P06276 | 1/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1178667 | 0.83 | CYP2A6 (0.37) | CYP3A4ALOX15HIF1AHSD17B10TSHR | |
| SCHEMBL5997236 | 0.79 | CYP3A4 (0.58) | CYP3A4ALOX15HIF1AHSD17B10TSHR | |
| SCHEMBL536732 | 0.76 | ALDH1A1 (0.50) | CYP3A4ALOX15HIF1AHSD17B10TSHR | |
| SCHEMBL2463315 | 0.76 | ALDH1A1 (0.50) | CYP3A4ALOX15HIF1AHSD17B10TSHR | |
| SCHEMBL188205 | 0.75 | — | — | |
| SCHEMBL31255814 | 0.72 | LCK (0.43) | LCKCYP3A4ALOX15HIF1AHSD17B10 | |
| SCHEMBL337114 | 0.72 | LCK (0.43) | LCKCYP3A4ALOX15HIF1AHSD17B10 | |
| SCHEMBL36452 | 0.72 | CYP2A6 (0.48) | CYP3A4ALOX15HIF1AHSD17B10TDP1 | |
| SCHEMBL3203555 | 0.72 | CYP1A2 (0.62) | LCKCYP3A4ALOX15HIF1AHSD17B10 | |
| SCHEMBL27905829 | 0.70 | CYP2A6 (0.46) | CYP3A4ALOX15HIF1AHSD17B10TDP1 |
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-1507764-A4 | NOVEL ENANTIOMERS OF TETRAHYDROISOQUINOLINE DERIVATIVES AND THEIR PHARMACEUTICALLY ACCEPTABLE SALTS, THEIR PREPARATIONS AND PHARMACEUTICAL COMPOSITIONS | YUN-CHOI HYE-SOOK (KR) | 2005-06-22 | — | — | EP | disclosed |
| EP-1507764-A1 | NOVEL ENANTIOMERS OF TETRAHYDROISOQUINOLINE DERIVATIVES AND THEIR PHARMACEUTICALLY ACCEPTABLE SALTS, THEIR PREPARATIONS AND PHARMACEUTICAL COMPOSITIONS | Yun-Choi, Hye-Sook (KR) | 2005-02-23 | — | — | EP | disclosed |
| WO-2003095426-A1 | NOVEL ENANTIOMERS OF TETRAHYDROISOQUINOLINE DERIVATIVES AND THEIR PHARMACEUTICALLY ACCEPTABLE SALTS, THEIR PREPARATIONS AND PHARMACEUTICAL COMPOSITIONS | YUN-CHOI HYE-SOOK (KR) | 2003-11-20 | — | — | WO | disclosed |