Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 5/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | HPGD | P15428 | 3/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | DRD2 | P14416 | 3/20 | 0.33 |
| ▸ | DRD1 | P21728 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.33 |
| ▸ | MEN1 | O00255 | 4/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7419995 | 0.85 | MAOA (0.41) | ALDH1A1NPSR1KDM4EGAATSHR | |
| Fumaric Acid SCHEMBL8549056 | 0.82 | DRD2 (0.40) | ALDH1A1NPSR1KDM4EGAADRD2 | |
| Maleic Acid SCHEMBL8549049 | 0.82 | DRD2 (0.40) | ALDH1A1NPSR1KDM4EGAADRD2 | |
| SCHEMBL7473332 | 0.81 | DRD2 (0.40) | DRD2DRD1 | |
| SCHEMBL8550402 | 0.71 | KCNA3 (0.34) | KDM4EDRD2DRD1KMT2AMEN1 | |
| SCHEMBL8747199 | 0.71 | HDAC1 (0.35) | TSHRDRD2DRD1MAPK1 | |
| SCHEMBL7417594 | 0.65 | MAOA (0.41) | ALDH1A1KDM4EHPGDSMN1; SMN2DRD2 | |
| SCHEMBL8747075 | 0.65 | MAOA (0.43) | ALDH1A1KDM4EDRD2DRD1MAPK1 | |
| SCHEMBL7419953 | 0.65 | PKM (0.46) | ALDH1A1GAATSHRKMT2AMEN1 | |
| SCHEMBL7411687 | 0.64 | MAOA (0.40) | ALDH1A1KDM4EHPGDDRD2DRD1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1046713-C | Tetrahydroisoquinoline compounds, pharmaceutical compositions containing them, and their preparation and use | KNORR CO LTD (GB) | 1999-11-24 | — | — | CN | disclosed |
| EP-0707570-B1 | ISOQUINOLINE DERIVATIVES AS THERAPEUTIC AGENTS | KNOLL AG (DE) | 1998-05-06 | — | — | EP | disclosed |
| CN-1128992-A | Therapeutic agents | KNORR CO LTD (DE) | 1996-08-14 | — | — | CN | disclosed |