Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MDM2 | Q00987 | 5/20 | 0.79 |
| ▸ | TP53 | P04637 | 2/20 | 0.79 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | MAPT | P10636 | 2/20 | 0.52 |
| ▸ | HTT | P42858 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | BRS3 | P32247 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | KCNA5 | P22460 | 4/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL29921543 | 1.00 | MDM2 (0.79) | MDM2TP53ALDH1A1MAPTHTT | |
| SCHEMBL2054559 | 0.88 | MDM2 (1.00) | MDM2TP53ALDH1A1MAPTHTT | |
| SCHEMBL2098874 | 0.88 | MDM2 (1.00) | MDM2TP53ALDH1A1MAPTHTT | |
| SCHEMBL2054562 | 0.88 | MDM2 (1.00) | MDM2TP53ALDH1A1MAPTHTT | |
| SCHEMBL2054560 | 0.88 | MDM2 (1.00) | MDM2TP53ALDH1A1MAPTHTT | |
| SCHEMBL29921819 | 0.88 | MDM2 (1.00) | MDM2TP53ALDH1A1MAPTHTT | |
| SCHEMBL2054563 | 0.88 | MDM2 (1.00) | MDM2TP53ALDH1A1MAPTHTT | |
| SCHEMBL13179470 | 0.84 | MDM2 (0.62) | MDM2TP53ALDH1A1MAPTHTT | |
| SCHEMBL2054558 | 0.83 | MDM2 (1.00) | MDM2TP53ALDH1A1MAPTHTT | |
| SCHEMBL2054561 | 0.83 | MDM2 (1.00) | MDM2TP53ALDH1A1MAPTHTT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8163744-B2 | Tetrahydro-isoquinolin-1-ones for the treatment of cancer | NEXUSPHARMA, INC. (US) | 2012-04-24 | — | — | US | claimed |
| US-8163744-B2 | Tetrahydro-isoquinolin-1-ones for the treatment of cancer | NEXUSPHARMA, INC. (US) | 2012-04-24 | — | — | US | disclosed |