Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAPDH | P04406 | 1/20 | 0.37 |
| ▸ | HSPA1A | P0DMV8 | 1/20 | 0.37 |
| ▸ | HSPA8 | P11142 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL6639036 | 0.90 | MEN1 (0.37) | GAPDHHSPA1AHSPA8MEN1CYP1A2 | |
| SCHEMBL6641996 | 0.89 | PBRM1 (0.38) | MEN1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL6947134 | 0.87 | ALDH1A1 (0.38) | CYP3A4 | |
| SCHEMBL6636350 | 0.86 | MEN1 (0.43) | GAPDHHSPA1AHSPA8MEN1CYP1A2 | |
| SCHEMBL6215371 | 0.86 | MEN1 (0.39) | GAPDHHSPA1AHSPA8MEN1CYP1A2 | |
| SCHEMBL6638525 | 0.83 | MEN1 (0.37) | GAPDHHSPA1AHSPA8MEN1CYP1A2 | |
| SCHEMBL6639370 | 0.83 | MEN1 (0.37) | GAPDHHSPA1AHSPA8MEN1CYP1A2 | |
| SCHEMBL6214985 | 0.83 | MEN1 (0.39) | GAPDHHSPA1AHSPA8MEN1CYP1A2 | |
| SCHEMBL6640278 | 0.82 | PBRM1 (0.38) | GAPDHHSPA1AHSPA8MEN1CYP1A2 | |
| SCHEMBL6215438 | 0.82 | MEN1 (0.49) | MEN1CYP1A2CYP3A4CYP2D6CYP2C19 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1254118-B1 | SUBSTITUTED 1,2,3,4- TETRAHYDROQUINOLINE-2-CARBOXYLIC ACID DERIVATIVES | GRUENENTHAL GMBH (DE) | 2005-11-09 | — | — | EP | disclosed |
| EP-1411947-A2 | SALTS OF SUBSTITUTED 1, 2, 3, 4-TETRAHYDROISOQUINOLINE-2-CARBOXYLIC ACID DERIVATIVES | Grünenthal GmbH (DE) | 2004-04-28 | — | — | EP | disclosed |
| WO-2003013530-A2 | SALTS OF SUBSTITUTED 1, 2, 3, 4-TETRAHYDROQUINOLINE-2-CARBOXYLIC ACID DERIVATIVES AS NMDA ANTAGONISTS | Grünenthal GmbH (DE) | 2003-02-20 | — | — | WO | disclosed |
| EP-1254118-A2 | SUBSTITUTED 1,2,3,4- TETRAHYDROQUINOLINE-2-CARBOXYLIC ACID DERIVATIVES | Grünenthal GmbH (DE) | 2002-11-06 | — | — | EP | disclosed |
| WO-2001058875-A2 | SUBSTITUTED 1,2,3,4- TETRAHYDROQUINOLINE-2-CARBOXYLIC ACID DERIVATIVES | Grünenthal GmbH (DE) | 2001-08-16 | — | — | WO | disclosed |