Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 4/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | RAB9A | P51151 | 3/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | PHGDH | O43175 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1509271 | 0.86 | KMT2A (0.58) | NPC1KMT2AMEN1MAPTRAB9A | |
| SCHEMBL11758088 | 0.86 | KMT2A (0.58) | NPC1KMT2AMEN1MAPTRAB9A | |
| SCHEMBL11758703 | 0.86 | KMT2A (0.58) | NPC1KMT2AMEN1MAPTRAB9A | |
| Isoquinoline SCHEMBL10997368 | 0.82 | NPC1 (0.46) | NPC1HTTATMKMT2AMEN1 | |
| Cadaverine Tartrate SCHEMBL28081412 | 0.78 | ALDH1A1 (0.63) | NPC1HTTKMT2AMEN1MAPT | |
| Cadaverine Tartrate SCHEMBL5874249 | 0.78 | ALDH1A1 (0.63) | NPC1HTTKMT2AMEN1MAPT | |
| Cadaverine Tartrate SCHEMBL5874237 | 0.78 | ALDH1A1 (0.63) | NPC1HTTKMT2AMEN1MAPT | |
| Quinoline SCHEMBL27814435 | 0.75 | POLB (0.64) | NPC1KMT2AMEN1MAPTRAB9A | |
| Quinoline SCHEMBL27671600 | 0.70 | POLB (0.51) | NPC1SMN1; SMN2RAB9AALDH1A1KDM4E | |
| Cadaverine Tartrate SCHEMBL28015425 | 0.70 | CYP1A2 (0.56) | KMT2AMEN1MAPTMAPK1ALDH1A1 |
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-0079383-A4 | PREPARATION OF CHIRAL 1-BENZYL-1,2,3,4-TETRAHYDROISOQUINOLINES BY OPTICAL RESOLUTION. | US SECRETARY UNITED STATES DEP (US) | 1984-01-12 | — | — | EP | claimed |
| EP-0079383-A1 | PREPARATION OF CHIRAL 1-BENZYL-1,2,3,4-TETRAHYDROISOQUINOLINES BY OPTICAL RESOLUTION | THE UNITED STATES OF AMERICA as represented by the Secretary UNITED STATES DEPARTMENT OF COMMERCE (US) | 1983-05-25 | — | — | EP | claimed |
| WO-1982004049-A1 | PREPARATION OF CHIRAL 1-BENZYL-1,2,3,4-TETRAHYDROISOQUINOLINES BY OPTICAL RESOLUTION | US HEALTH (US) | 1982-11-25 | — | — | WO | claimed |